2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)acetamide

C24H27N5O3 — CID 59085734

IUPAC2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)acetamide
SMILESCc1cc2c(c(=O)n1CC(=O)NCc1ccc3[nH]ccc3n1)NC(=O)C(CC1CCC1)C2
InChIInChI=1S/C24H27N5O3/c1-14-9-16-11-17(10-15-3-2-4-15)23(31)28-22(16)24(32)29(14)13-21(30)26-12-18-5-6-19-20(27-18)7-8-25-19/h5-9,15,17,25H,2-4,10-13H2,1H3,(H,26,30)(H,28,31)
InChIKeyJKHSNJUPHCMQNQ-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.65
Rot. Bonds6

About 2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)acetamide

2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)acetamide (PubChem CID 59085734) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)acetamide
PubChem CID59085734
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)acetamide
SMILESCc1cc2c(c(=O)n1CC(=O)NCc1ccc3[nH]ccc3n1)NC(=O)C(CC1CCC1)C2
InChIInChI=1S/C24H27N5O3/c1-14-9-16-11-17(10-15-3-2-4-15)23(31)28-22(16)24(32)29(14)13-21(30)26-12-18-5-6-19-20(27-18)7-8-25-19/h5-9,15,17,25H,2-4,10-13H2,1H3,(H,26,30)(H,28,31)
InChIKeyJKHSNJUPHCMQNQ-UHFFFAOYSA-N
XLogP2.65
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)acetamide with MolForge

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Related Compounds

2-[3-amino-4-(cyclobutylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-(1H-imidazo[4,5-b]pyridin-3-ium-5-ylmethyl)acetamide
CID 123739497
2-[3-[[(3R,4S)-4-cyclopropylpyrrolidin-3-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
CID 59085827
2-[3-[[(2R,3S)-2-cyclopropylpiperidin-3-yl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
CID 59085556
2-[4-[(3S,4R)-1-acetyl-4-phenylpyrrolidin-3-yl]-2-methyl-6-oxo-1-pyridinyl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
CID 59085596
2-[3-[2-(3-fluoro-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
CID 59085563
2-(3-methyl-1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 126478767
2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 59085787
2-[6-methyl-3-(2-naphthalen-1-ylethylamino)-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
CID 59085729
2-[3-amino-4-(cyclobutylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-(1H-imidazo[4,5-b]pyridin-6-ylmethyl)acetamide
CID 59085649
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(2S)-2-benzyl-1,7-dimethyl-3,5-dioxo-2,4-dihydropyrido[3,4-b]pyrazin-6-yl]acetamide
CID 10004435
N-cyclohexyl-N-methyl-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide
CID 4571287
N-(cyclobutylmethyl)-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetamide
CID 38653658

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)acetamide?
The IUPAC name of 2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)acetamide (CID 59085734) is 2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)acetamide is Cc1cc2c(c(=O)n1CC(=O)NCc1ccc3[nH]ccc3n1)NC(=O)C(CC1CCC1)C2.
What is the InChIKey of 2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)acetamide?
The InChIKey is JKHSNJUPHCMQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-14-9-16-11-17(10-15-3-2-4-15)23(31)28-22(16)24(32)29(14)13-21(30)26-12-18-5-6-19-20(27-18)7-8-25-19/h5-9,15,17,25H,2-4,10-13H2,1H3,(H,26,30)(H,28,31).
What are the key properties of 2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)acetamide?
2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)acetamide has a molecular weight of 433.51 g/mol, XLogP of 2.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)acetamide is sourced from PubChem (CID 59085734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).