5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)indole-2-carboxamide

C20H23N5O2 — CID 70744157

IUPAC5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)indole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)NC1CCCN(c3ncccn3)C1)n2C
InChIInChI=1S/C20H23N5O2/c1-24-17-7-6-16(27-2)11-14(17)12-18(24)19(26)23-15-5-3-10-25(13-15)20-21-8-4-9-22-20/h4,6-9,11-12,15H,3,5,10,13H2,1-2H3,(H,23,26)
InChIKeyWKVUFDCKLXQZKV-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.38
Rot. Bonds4

About 5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)indole-2-carboxamide

5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)indole-2-carboxamide (PubChem CID 70744157) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)indole-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)indole-2-carboxamide
PubChem CID70744157
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)indole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)NC1CCCN(c3ncccn3)C1)n2C
InChIInChI=1S/C20H23N5O2/c1-24-17-7-6-16(27-2)11-14(17)12-18(24)19(26)23-15-5-3-10-25(13-15)20-21-8-4-9-22-20/h4,6-9,11-12,15H,3,5,10,13H2,1-2H3,(H,23,26)
InChIKeyWKVUFDCKLXQZKV-UHFFFAOYSA-N
XLogP2.38
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]cyclopropane-1-carboxamide
CID 95713073
5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide
CID 138036782
N-(4-methoxyphenyl)-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]propanamide
CID 167857379
5-methoxy-1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]indole-2-carboxamide
CID 56721773
(3S)-N'-(4-methoxybenzoyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide
CID 7435428
1,3-dimethyl-2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 47048571
1-ethyl-3-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-5-carboxamide
CID 56887725
3,5-dimethoxy-4-phenylmethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55803613
1,6-dimethyl-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]indole-2-carboxamide
CID 126429000
N-[(2,5-dimethoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 47045757
5-methoxy-1-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)indole-2-carboxamide
CID 70777797
N-[2-(4-methoxyphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3223369

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)indole-2-carboxamide?
The IUPAC name of 5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)indole-2-carboxamide (CID 70744157) is 5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)indole-2-carboxamide.
What is the SMILES notation for 5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)indole-2-carboxamide?
The canonical SMILES for 5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)indole-2-carboxamide is COc1ccc2c(c1)cc(C(=O)NC1CCCN(c3ncccn3)C1)n2C.
What is the InChIKey of 5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)indole-2-carboxamide?
The InChIKey is WKVUFDCKLXQZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-24-17-7-6-16(27-2)11-14(17)12-18(24)19(26)23-15-5-3-10-25(13-15)20-21-8-4-9-22-20/h4,6-9,11-12,15H,3,5,10,13H2,1-2H3,(H,23,26).
What are the key properties of 5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)indole-2-carboxamide?
5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)indole-2-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)indole-2-carboxamide is sourced from PubChem (CID 70744157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).