N-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1,7-naphthyridin-6-yl]cyclopropanecarboxamide

C22H23N5O — CID 138586870

IUPACN-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1,7-naphthyridin-6-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc2cc(-c3cncc(CN4CCCC4)c3)cnc2cn1)C1CC1
InChIInChI=1S/C22H23N5O/c28-22(16-3-4-16)26-21-9-17-8-19(12-24-20(17)13-25-21)18-7-15(10-23-11-18)14-27-5-1-2-6-27/h7-13,16H,1-6,14H2,(H,25,26,28)
InChIKeyUZSBLSLXOSUTGW-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.64
Rot. Bonds5

About N-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1,7-naphthyridin-6-yl]cyclopropanecarboxamide

N-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1,7-naphthyridin-6-yl]cyclopropanecarboxamide (PubChem CID 138586870) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1,7-naphthyridin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1,7-naphthyridin-6-yl]cyclopropanecarboxamide
PubChem CID138586870
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1,7-naphthyridin-6-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc2cc(-c3cncc(CN4CCCC4)c3)cnc2cn1)C1CC1
InChIInChI=1S/C22H23N5O/c28-22(16-3-4-16)26-21-9-17-8-19(12-24-20(17)13-25-21)18-7-15(10-23-11-18)14-27-5-1-2-6-27/h7-13,16H,1-6,14H2,(H,25,26,28)
InChIKeyUZSBLSLXOSUTGW-UHFFFAOYSA-N
XLogP3.64
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 138586383
4-(hydroxymethyl)-N-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]cyclohexane-1-carboxamide
CID 138590946
N-[3-(5-methoxy-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-methylpiperidine-4-carboxamide
CID 138586735
N-[3-(5-cyano-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-methylpiperidine-4-carboxamide
CID 138589108
1-methyl-N-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
CID 138590247
4-[[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 138588832
1-(2-fluoroethyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
CID 138587793
N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide;molecular hydrogen
CID 142583654
N-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]cyclohexanecarboxamide
CID 138588999
4-(2-methoxyethylamino)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxamide
CID 138591450
N-[3-(2-methyl-1,3-oxazol-4-yl)-1,7-naphthyridin-6-yl]-4-(4-methylpiperazin-1-yl)cyclohexane-1-carboxamide
CID 138588117
2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)acetamide
CID 138589967

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1,7-naphthyridin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1,7-naphthyridin-6-yl]cyclopropanecarboxamide (CID 138586870) is N-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1,7-naphthyridin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1,7-naphthyridin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1,7-naphthyridin-6-yl]cyclopropanecarboxamide is O=C(Nc1cc2cc(-c3cncc(CN4CCCC4)c3)cnc2cn1)C1CC1.
What is the InChIKey of N-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1,7-naphthyridin-6-yl]cyclopropanecarboxamide?
The InChIKey is UZSBLSLXOSUTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c28-22(16-3-4-16)26-21-9-17-8-19(12-24-20(17)13-25-21)18-7-15(10-23-11-18)14-27-5-1-2-6-27/h7-13,16H,1-6,14H2,(H,25,26,28).
What are the key properties of N-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1,7-naphthyridin-6-yl]cyclopropanecarboxamide?
N-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1,7-naphthyridin-6-yl]cyclopropanecarboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1,7-naphthyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 138586870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).