2-amino-1-ethyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

C27H34N6O3 — CID 44611744

IUPAC2-amino-1-ethyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCN1CCCC1CNC(=O)Cc1ccc(-c2ccc3c(=O)c(C(=O)NC)c(N)n(CC)c3n2)cc1
InChIInChI=1S/C27H34N6O3/c1-4-32-14-6-7-19(32)16-30-22(34)15-17-8-10-18(11-9-17)21-13-12-20-24(35)23(27(36)29-3)25(28)33(5-2)26(20)31-21/h8-13,19H,4-7,14-16,28H2,1-3H3,(H,29,36)(H,30,34)
InChIKeyJOAAZQDNQYWUGL-UHFFFAOYSA-N
MW490.61 g/mol
LogP2.17
Rot. Bonds8

About 2-amino-1-ethyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

2-amino-1-ethyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 44611744) has the molecular formula C27H34N6O3 and a molecular weight of 490.61 g/mol. Its IUPAC name is 2-amino-1-ethyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-ethyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID44611744
Molecular FormulaC27H34N6O3
Molecular Weight490.61 g/mol
Exact Mass490.27
IUPAC Name2-amino-1-ethyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCN1CCCC1CNC(=O)Cc1ccc(-c2ccc3c(=O)c(C(=O)NC)c(N)n(CC)c3n2)cc1
InChIInChI=1S/C27H34N6O3/c1-4-32-14-6-7-19(32)16-30-22(34)15-17-8-10-18(11-9-17)21-13-12-20-24(35)23(27(36)29-3)25(28)33(5-2)26(20)31-21/h8-13,19H,4-7,14-16,28H2,1-3H3,(H,29,36)(H,30,34)
InChIKeyJOAAZQDNQYWUGL-UHFFFAOYSA-N
XLogP2.17
TPSA122.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-2-oxoethyl]-2-methylphenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 44612232
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-[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
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]-2-(3-hydroxyphenyl)acetamide
CID 61399758
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide
CID 71708054
5-[(1-ethylpyrrolidin-2-yl)methylamino]furan-2-carboxylic acid
CID 55050376
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
CID 71701198
2-(2,6-dichlorophenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide
CID 94003929

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-ethyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 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) is 2-amino-1-ethyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-amino-1-ethyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 2-amino-1-ethyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is CCN1CCCC1CNC(=O)Cc1ccc(-c2ccc3c(=O)c(C(=O)NC)c(N)n(CC)c3n2)cc1.
What is the InChIKey of 2-amino-1-ethyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is JOAAZQDNQYWUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O3/c1-4-32-14-6-7-19(32)16-30-22(34)15-17-8-10-18(11-9-17)21-13-12-20-24(35)23(27(36)29-3)25(28)33(5-2)26(20)31-21/h8-13,19H,4-7,14-16,28H2,1-3H3,(H,29,36)(H,30,34).
What are the key properties of 2-amino-1-ethyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
2-amino-1-ethyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 490.61 g/mol, XLogP of 2.17, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-ethyl-7-[4-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 44611744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).