N-[5-(5-ethyl-4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

C22H25N5O2 — CID 170677555

IUPACN-[5-(5-ethyl-4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCCC1CCc2oc(-c3cnc(NC)c4cnc(NC(=O)C5CC5)cc34)nc2C1
InChIInChI=1S/C22H25N5O2/c1-3-12-4-7-18-17(8-12)26-22(29-18)16-11-25-20(23-2)15-10-24-19(9-14(15)16)27-21(28)13-5-6-13/h9-13H,3-8H2,1-2H3,(H,23,25)(H,24,27,28)
InChIKeyDWMDICXIGHZSFB-UHFFFAOYSA-N
MW391.48 g/mol
LogP4.19
Rot. Bonds5

About N-[5-(5-ethyl-4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

N-[5-(5-ethyl-4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 170677555) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[5-(5-ethyl-4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(5-ethyl-4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID170677555
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[5-(5-ethyl-4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCCC1CCc2oc(-c3cnc(NC)c4cnc(NC(=O)C5CC5)cc34)nc2C1
InChIInChI=1S/C22H25N5O2/c1-3-12-4-7-18-17(8-12)26-22(29-18)16-11-25-20(23-2)15-10-24-19(9-14(15)16)27-21(28)13-5-6-13/h9-13H,3-8H2,1-2H3,(H,23,25)(H,24,27,28)
InChIKeyDWMDICXIGHZSFB-UHFFFAOYSA-N
XLogP4.19
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[8-(methylamino)-5-(5-phenyl-1,3-oxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626556
N-[5-(5-amino-1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626703
2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-N-(cyclopropylmethyl)-1,3-benzoxazole-5-carboxamide
CID 170677758
N-[5-[5-(4-acetyl-6-ethyl-1,4-diazepan-1-yl)-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 174182671
N-[5-[5-(2-methoxyethoxy)-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626779
N-[5-methyl-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626822
N-[5-[5-[(2R)-1-methoxypropan-2-yl]oxy-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627056
N-[5-[5-[(2S)-2-methoxypropoxy]-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627057
N-[5-(5-bromo-1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627187
N-[5-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170678127
N-[5-(1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]propanamide
CID 170627430
N-[5-[5-(6-methoxy-4-methyl-1,4-diazepan-1-yl)-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 174182679

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-ethyl-4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(5-ethyl-4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 170677555) is N-[5-(5-ethyl-4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(5-ethyl-4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(5-ethyl-4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is CCC1CCc2oc(-c3cnc(NC)c4cnc(NC(=O)C5CC5)cc34)nc2C1.
What is the InChIKey of N-[5-(5-ethyl-4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is DWMDICXIGHZSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-3-12-4-7-18-17(8-12)26-22(29-18)16-11-25-20(23-2)15-10-24-19(9-14(15)16)27-21(28)13-5-6-13/h9-13H,3-8H2,1-2H3,(H,23,25)(H,24,27,28).
What are the key properties of N-[5-(5-ethyl-4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[5-(5-ethyl-4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 391.48 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-ethyl-4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 170677555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).