1-(2-methylpropyl)-N-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-2-pyridinyl]piperidine-4-carboxamide

C22H27N5O — CID 168926332

IUPAC1-(2-methylpropyl)-N-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCC(C)CN1CCC(C(=O)Nc2cc(-c3c[nH]c4cnccc34)ccn2)CC1
InChIInChI=1S/C22H27N5O/c1-15(2)14-27-9-5-16(6-10-27)22(28)26-21-11-17(3-8-24-21)19-12-25-20-13-23-7-4-18(19)20/h3-4,7-8,11-13,15-16,25H,5-6,9-10,14H2,1-2H3,(H,24,26,28)
InChIKeyMSRPEOBBKCEZNJ-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.93
Rot. Bonds5

About 1-(2-methylpropyl)-N-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-2-pyridinyl]piperidine-4-carboxamide

1-(2-methylpropyl)-N-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 168926332) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID168926332
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name1-(2-methylpropyl)-N-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCC(C)CN1CCC(C(=O)Nc2cc(-c3c[nH]c4cnccc34)ccn2)CC1
InChIInChI=1S/C22H27N5O/c1-15(2)14-27-9-5-16(6-10-27)22(28)26-21-11-17(3-8-24-21)19-12-25-20-13-23-7-4-18(19)20/h3-4,7-8,11-13,15-16,25H,5-6,9-10,14H2,1-2H3,(H,24,26,28)
InChIKeyMSRPEOBBKCEZNJ-UHFFFAOYSA-N
XLogP3.93
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-methylpropyl)-N-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-2-pyridinyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-isoquinolin-3-yl-1-(2-methylpropyl)piperidine-4-carboxamide
CID 166280089
1-(2-methylpropyl)-N-(7-pyrazin-2-ylquinazolin-2-yl)azepane-4-carboxamide
CID 138586722
6-chloro-N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]pyridine-3-carboxamide
CID 151986572
N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-3-fluorobenzamide
CID 146571657
[1-(2-methylpropyl)piperidin-4-yl]-pyridin-4-ylmethanone
CID 174877965
N-[6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]isoquinolin-3-yl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 166702389
N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]cyclobutanecarboxamide
CID 90465135
1-(2-methylpropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]azepane-4-carboxamide
CID 138588754
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,6-naphthyridin-7-yl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 138588276
N-[4-(2-methyl-4-pyrimidin-5-yl-1H-imidazol-5-yl)-2-pyridinyl]cyclopropanecarboxamide
CID 155525697
N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazole-2-carboxamide
CID 146613876
N-[4-(5-cyclopropyl-2-methyl-1H-imidazol-4-yl)-2-pyridinyl]cyclopropanecarboxamide
CID 155562118

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-methylpropyl)-N-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-2-pyridinyl]piperidine-4-carboxamide (CID 168926332) is 1-(2-methylpropyl)-N-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methylpropyl)-N-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methylpropyl)-N-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-2-pyridinyl]piperidine-4-carboxamide is CC(C)CN1CCC(C(=O)Nc2cc(-c3c[nH]c4cnccc34)ccn2)CC1.
What is the InChIKey of 1-(2-methylpropyl)-N-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is MSRPEOBBKCEZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-15(2)14-27-9-5-16(6-10-27)22(28)26-21-11-17(3-8-24-21)19-12-25-20-13-23-7-4-18(19)20/h3-4,7-8,11-13,15-16,25H,5-6,9-10,14H2,1-2H3,(H,24,26,28).
What are the key properties of 1-(2-methylpropyl)-N-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-2-pyridinyl]piperidine-4-carboxamide?
1-(2-methylpropyl)-N-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 168926332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).