N-[[4-[(2-hydroxypropanoylamino)methyl]-2-pyridinyl]methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C20H24N4O4 — CID 162627516

IUPACN-[[4-[(2-hydroxypropanoylamino)methyl]-2-pyridinyl]methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCOc1nc2c(cc1C(=O)NCc1cc(CNC(=O)C(C)O)ccn1)CCC2
InChIInChI=1S/C20H24N4O4/c1-12(25)18(26)22-10-13-6-7-21-15(8-13)11-23-19(27)16-9-14-4-3-5-17(14)24-20(16)28-2/h6-9,12,25H,3-5,10-11H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyIVWBCYVUQAQUFL-UHFFFAOYSA-N
MW384.44 g/mol
LogP0.90
Rot. Bonds7

About N-[[4-[(2-hydroxypropanoylamino)methyl]-2-pyridinyl]methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

N-[[4-[(2-hydroxypropanoylamino)methyl]-2-pyridinyl]methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 162627516) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[[4-[(2-hydroxypropanoylamino)methyl]-2-pyridinyl]methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2-hydroxypropanoylamino)methyl]-2-pyridinyl]methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID162627516
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC NameN-[[4-[(2-hydroxypropanoylamino)methyl]-2-pyridinyl]methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCOc1nc2c(cc1C(=O)NCc1cc(CNC(=O)C(C)O)ccn1)CCC2
InChIInChI=1S/C20H24N4O4/c1-12(25)18(26)22-10-13-6-7-21-15(8-13)11-23-19(27)16-9-14-4-3-5-17(14)24-20(16)28-2/h6-9,12,25H,3-5,10-11H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyIVWBCYVUQAQUFL-UHFFFAOYSA-N
XLogP0.90
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-(1,2-oxazol-3-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 29180522
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 72862412
2-methoxy-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 72840477
N-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 99936089
N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 72847767
2-methoxy-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 72866403
(3S)-3-(furan-2-yl)-3-[(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)amino]propanoic acid
CID 97277113
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 131932478
2-chloro-N-[(3,4-difluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 87262839
2-methoxy-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 72875071
2-(2-methoxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 55107667
2-methoxy-N-[(3-methylsulfanylphenyl)methyl]-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 77080521

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-hydroxypropanoylamino)methyl]-2-pyridinyl]methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of N-[[4-[(2-hydroxypropanoylamino)methyl]-2-pyridinyl]methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 162627516) is N-[[4-[(2-hydroxypropanoylamino)methyl]-2-pyridinyl]methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-[(2-hydroxypropanoylamino)methyl]-2-pyridinyl]methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-[(2-hydroxypropanoylamino)methyl]-2-pyridinyl]methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is COc1nc2c(cc1C(=O)NCc1cc(CNC(=O)C(C)O)ccn1)CCC2.
What is the InChIKey of N-[[4-[(2-hydroxypropanoylamino)methyl]-2-pyridinyl]methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is IVWBCYVUQAQUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-12(25)18(26)22-10-13-6-7-21-15(8-13)11-23-19(27)16-9-14-4-3-5-17(14)24-20(16)28-2/h6-9,12,25H,3-5,10-11H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N-[[4-[(2-hydroxypropanoylamino)methyl]-2-pyridinyl]methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
N-[[4-[(2-hydroxypropanoylamino)methyl]-2-pyridinyl]methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 0.90, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-hydroxypropanoylamino)methyl]-2-pyridinyl]methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 162627516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).