N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide

C19H21N5O — CID 131896123

IUPACN-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide
SMILESO=C(NCC1CCN(c2ncccn2)CC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C19H21N5O/c25-18(17-12-15-4-1-2-5-16(15)23-17)22-13-14-6-10-24(11-7-14)19-20-8-3-9-21-19/h1-5,8-9,12,14,23H,6-7,10-11,13H2,(H,22,25)
InChIKeyWYYIXYGUAYCPQR-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.60
Rot. Bonds4

About N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide

N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 131896123) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide
PubChem CID131896123
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide
SMILESO=C(NCC1CCN(c2ncccn2)CC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C19H21N5O/c25-18(17-12-15-4-1-2-5-16(15)23-17)22-13-14-6-10-24(11-7-14)19-20-8-3-9-21-19/h1-5,8-9,12,14,23H,6-7,10-11,13H2,(H,22,25)
InChIKeyWYYIXYGUAYCPQR-UHFFFAOYSA-N
XLogP2.60
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-methoxypyridine-3-carbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 72870229
N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]furan-3-carboxamide
CID 131921279
2,2,2-trifluoro-N-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 21036988
1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250609
N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 2964205
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1H-indole-2-carboxamide
CID 162364764
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide
CID 53032674
ethyl 3-[[(3R)-3-[(1H-indole-2-carbonylamino)methyl]piperidine-1-carbonyl]amino]propanoate
CID 25461417
N-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 166287482
N-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 3618702
N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 140931178
N-[[1-[2-[2-(6-amino-3-pyridinyl)ethyl-(2-hydroxyethyl)amino]ethyl]pyrrolidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 167160693

Frequently Asked Questions

What is the IUPAC name of N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide (CID 131896123) is N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide is O=C(NCC1CCN(c2ncccn2)CC1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide?
The InChIKey is WYYIXYGUAYCPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c25-18(17-12-15-4-1-2-5-16(15)23-17)22-13-14-6-10-24(11-7-14)19-20-8-3-9-21-19/h1-5,8-9,12,14,23H,6-7,10-11,13H2,(H,22,25).
What are the key properties of N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide?
N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 131896123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).