2-amino-1-ethyl-7-[5-[2-[[(2R)-1-(2-fluoroethyl)pyrrolidin-2-yl]methylamino]-2-oxoethyl]-2-pyridinyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

C26H32FN7O3 — CID 44611329

IUPAC2-amino-1-ethyl-7-[5-[2-[[(2R)-1-(2-fluoroethyl)pyrrolidin-2-yl]methylamino]-2-oxoethyl]-2-pyridinyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1c(N)c(C(=O)NC)c(=O)c2ccc(-c3ccc(CC(=O)NC[C@H]4CCCN4CCF)cn3)nc21
InChIInChI=1S/C26H32FN7O3/c1-3-34-24(28)22(26(37)29-2)23(36)18-7-9-20(32-25(18)34)19-8-6-16(14-30-19)13-21(35)31-15-17-5-4-11-33(17)12-10-27/h6-9,14,17H,3-5,10-13,15,28H2,1-2H3,(H,29,37)(H,31,35)/t17-/m1/s1
InChIKeyCVVDYQREKQFXHH-QGZVFWFLSA-N
MW509.59 g/mol
LogP1.51
Rot. Bonds9

About 2-amino-1-ethyl-7-[5-[2-[[(2R)-1-(2-fluoroethyl)pyrrolidin-2-yl]methylamino]-2-oxoethyl]-2-pyridinyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

2-amino-1-ethyl-7-[5-[2-[[(2R)-1-(2-fluoroethyl)pyrrolidin-2-yl]methylamino]-2-oxoethyl]-2-pyridinyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 44611329) has the molecular formula C26H32FN7O3 and a molecular weight of 509.59 g/mol. Its IUPAC name is 2-amino-1-ethyl-7-[5-[2-[[(2R)-1-(2-fluoroethyl)pyrrolidin-2-yl]methylamino]-2-oxoethyl]-2-pyridinyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-ethyl-7-[5-[2-[[(2R)-1-(2-fluoroethyl)pyrrolidin-2-yl]methylamino]-2-oxoethyl]-2-pyridinyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID44611329
Molecular FormulaC26H32FN7O3
Molecular Weight509.59 g/mol
Exact Mass509.26
IUPAC Name2-amino-1-ethyl-7-[5-[2-[[(2R)-1-(2-fluoroethyl)pyrrolidin-2-yl]methylamino]-2-oxoethyl]-2-pyridinyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1c(N)c(C(=O)NC)c(=O)c2ccc(-c3ccc(CC(=O)NC[C@H]4CCCN4CCF)cn3)nc21
InChIInChI=1S/C26H32FN7O3/c1-3-34-24(28)22(26(37)29-2)23(36)18-7-9-20(32-25(18)34)19-8-6-16(14-30-19)13-21(35)31-15-17-5-4-11-33(17)12-10-27/h6-9,14,17H,3-5,10-13,15,28H2,1-2H3,(H,29,37)(H,31,35)/t17-/m1/s1
InChIKeyCVVDYQREKQFXHH-QGZVFWFLSA-N
XLogP1.51
TPSA135.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.59
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-amino-1-ethyl-7-[5-[2-[[(2R)-1-(2-fluoroethyl)pyrrolidin-2-yl]methylamino]-2-oxoethyl]-2-pyridinyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide with MolForge

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Related Compounds

2-amino-1-ethyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 44611744
2-amino-1-ethyl-7-[4-[2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-2-oxoethyl]-2-methylphenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 44612232
2-amino-1-cyclopentyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 44611997
2-amino-1-ethyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 44612711
2-amino-1-ethyl-7-[[4-[5-[(1-ethylpyrrolidin-2-yl)methylamino]-5-oxopentyl]phenyl]methyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 91395632
2-[4-(aminomethyl)phenyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 63589407
2-amino-N-methyl-4-oxo-7-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]-1-(2-pyrrolidin-1-ylethyl)-1,8-naphthyridine-3-carboxamide
CID 67079913
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62165372
3-[2-(benzylamino)-2-oxoethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 45490962
3-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
CID 94018036
3-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide
CID 119888709
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 61399758

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-ethyl-7-[5-[2-[[(2R)-1-(2-fluoroethyl)pyrrolidin-2-yl]methylamino]-2-oxoethyl]-2-pyridinyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 2-amino-1-ethyl-7-[5-[2-[[(2R)-1-(2-fluoroethyl)pyrrolidin-2-yl]methylamino]-2-oxoethyl]-2-pyridinyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 44611329) is 2-amino-1-ethyl-7-[5-[2-[[(2R)-1-(2-fluoroethyl)pyrrolidin-2-yl]methylamino]-2-oxoethyl]-2-pyridinyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-amino-1-ethyl-7-[5-[2-[[(2R)-1-(2-fluoroethyl)pyrrolidin-2-yl]methylamino]-2-oxoethyl]-2-pyridinyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 2-amino-1-ethyl-7-[5-[2-[[(2R)-1-(2-fluoroethyl)pyrrolidin-2-yl]methylamino]-2-oxoethyl]-2-pyridinyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1c(N)c(C(=O)NC)c(=O)c2ccc(-c3ccc(CC(=O)NC[C@H]4CCCN4CCF)cn3)nc21.
What is the InChIKey of 2-amino-1-ethyl-7-[5-[2-[[(2R)-1-(2-fluoroethyl)pyrrolidin-2-yl]methylamino]-2-oxoethyl]-2-pyridinyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is CVVDYQREKQFXHH-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H32FN7O3/c1-3-34-24(28)22(26(37)29-2)23(36)18-7-9-20(32-25(18)34)19-8-6-16(14-30-19)13-21(35)31-15-17-5-4-11-33(17)12-10-27/h6-9,14,17H,3-5,10-13,15,28H2,1-2H3,(H,29,37)(H,31,35)/t17-/m1/s1.
What are the key properties of 2-amino-1-ethyl-7-[5-[2-[[(2R)-1-(2-fluoroethyl)pyrrolidin-2-yl]methylamino]-2-oxoethyl]-2-pyridinyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
2-amino-1-ethyl-7-[5-[2-[[(2R)-1-(2-fluoroethyl)pyrrolidin-2-yl]methylamino]-2-oxoethyl]-2-pyridinyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 509.59 g/mol, XLogP of 1.51, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-ethyl-7-[5-[2-[[(2R)-1-(2-fluoroethyl)pyrrolidin-2-yl]methylamino]-2-oxoethyl]-2-pyridinyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 44611329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).