6-imidazol-1-yl-4-methyl-N-[(3S)-piperidin-3-yl]pyridine-2-carboxamide;dihydrochloride

C15H21Cl2N5O — CID 170610902

IUPAC6-imidazol-1-yl-4-methyl-N-[(3S)-piperidin-3-yl]pyridine-2-carboxamide;dihydrochloride
SMILESCc1cc(C(=O)N[C@H]2CCCNC2)nc(-n2ccnc2)c1.Cl.Cl
InChIInChI=1S/C15H19N5O.2ClH/c1-11-7-13(15(21)18-12-3-2-4-16-9-12)19-14(8-11)20-6-5-17-10-20;;/h5-8,10,12,16H,2-4,9H2,1H3,(H,18,21);2*1H/t12-;;/m0../s1
InChIKeyRHVVNZOHXGCZFM-LTCKWSDVSA-N
MW358.27 g/mol
LogP1.90
Rot. Bonds3

About 6-imidazol-1-yl-4-methyl-N-[(3S)-piperidin-3-yl]pyridine-2-carboxamide;dihydrochloride

6-imidazol-1-yl-4-methyl-N-[(3S)-piperidin-3-yl]pyridine-2-carboxamide;dihydrochloride (PubChem CID 170610902) has the molecular formula C15H21Cl2N5O and a molecular weight of 358.27 g/mol. Its IUPAC name is 6-imidazol-1-yl-4-methyl-N-[(3S)-piperidin-3-yl]pyridine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name6-imidazol-1-yl-4-methyl-N-[(3S)-piperidin-3-yl]pyridine-2-carboxamide;dihydrochloride
PubChem CID170610902
Molecular FormulaC15H21Cl2N5O
Molecular Weight358.27 g/mol
Exact Mass357.11
IUPAC Name6-imidazol-1-yl-4-methyl-N-[(3S)-piperidin-3-yl]pyridine-2-carboxamide;dihydrochloride
SMILESCc1cc(C(=O)N[C@H]2CCCNC2)nc(-n2ccnc2)c1.Cl.Cl
InChIInChI=1S/C15H19N5O.2ClH/c1-11-7-13(15(21)18-12-3-2-4-16-9-12)19-14(8-11)20-6-5-17-10-20;;/h5-8,10,12,16H,2-4,9H2,1H3,(H,18,21);2*1H/t12-;;/m0../s1
InChIKeyRHVVNZOHXGCZFM-LTCKWSDVSA-N
XLogP1.90
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-imidazol-1-yl-4-methyl-N-[(3R)-2-oxopiperidin-3-yl]pyridine-2-carboxamide
CID 170610802
N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide
CID 170610820
6-imidazol-1-yl-4-methyl-N-(1-propylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 170610864
4,6-dimethyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
CID 166178324
N-[(3S)-4,4-difluorooxan-3-yl]-6-imidazol-1-yl-4-methylpyridine-2-carboxamide
CID 170610855
2-imidazol-1-yl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide;hydrochloride
CID 170774255
6-imidazol-1-yl-N-[(3R)-oxan-3-yl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 170610880
1,5-dimethyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119451610
1,3,5-trimethyl-2,4-dioxo-N-piperidin-3-ylpyrido[2,3-d]pyrimidine-7-carboxamide
CID 119424751
2-imidazol-1-yl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 170774256
3-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzamide
CID 99618356
N-cyclohexyl-6-imidazol-1-ylpyrazine-2-carboxamide;difluoromethane;molecular hydrogen
CID 166481425

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-4-methyl-N-[(3S)-piperidin-3-yl]pyridine-2-carboxamide;dihydrochloride?
The IUPAC name of 6-imidazol-1-yl-4-methyl-N-[(3S)-piperidin-3-yl]pyridine-2-carboxamide;dihydrochloride (CID 170610902) is 6-imidazol-1-yl-4-methyl-N-[(3S)-piperidin-3-yl]pyridine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 6-imidazol-1-yl-4-methyl-N-[(3S)-piperidin-3-yl]pyridine-2-carboxamide;dihydrochloride?
The canonical SMILES for 6-imidazol-1-yl-4-methyl-N-[(3S)-piperidin-3-yl]pyridine-2-carboxamide;dihydrochloride is Cc1cc(C(=O)N[C@H]2CCCNC2)nc(-n2ccnc2)c1.Cl.Cl.
What is the InChIKey of 6-imidazol-1-yl-4-methyl-N-[(3S)-piperidin-3-yl]pyridine-2-carboxamide;dihydrochloride?
The InChIKey is RHVVNZOHXGCZFM-LTCKWSDVSA-N. The full InChI is InChI=1S/C15H19N5O.2ClH/c1-11-7-13(15(21)18-12-3-2-4-16-9-12)19-14(8-11)20-6-5-17-10-20;;/h5-8,10,12,16H,2-4,9H2,1H3,(H,18,21);2*1H/t12-;;/m0../s1.
What are the key properties of 6-imidazol-1-yl-4-methyl-N-[(3S)-piperidin-3-yl]pyridine-2-carboxamide;dihydrochloride?
6-imidazol-1-yl-4-methyl-N-[(3S)-piperidin-3-yl]pyridine-2-carboxamide;dihydrochloride has a molecular weight of 358.27 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-4-methyl-N-[(3S)-piperidin-3-yl]pyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 170610902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).