N-[4-[(dimethylamino)methyl]-2-pyridinyl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide

C18H26N6O — CID 138025916

IUPACN-[4-[(dimethylamino)methyl]-2-pyridinyl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
SMILESCN(C)Cc1ccnc(NC(=O)N2CCC(c3ccn(C)n3)CC2)c1
InChIInChI=1S/C18H26N6O/c1-22(2)13-14-4-8-19-17(12-14)20-18(25)24-10-5-15(6-11-24)16-7-9-23(3)21-16/h4,7-9,12,15H,5-6,10-11,13H2,1-3H3,(H,19,20,25)
InChIKeyNWECXMFGXPQZSB-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.29
Rot. Bonds4

About N-[4-[(dimethylamino)methyl]-2-pyridinyl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide

N-[4-[(dimethylamino)methyl]-2-pyridinyl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide (PubChem CID 138025916) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]-2-pyridinyl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(dimethylamino)methyl]-2-pyridinyl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
PubChem CID138025916
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC NameN-[4-[(dimethylamino)methyl]-2-pyridinyl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
SMILESCN(C)Cc1ccnc(NC(=O)N2CCC(c3ccn(C)n3)CC2)c1
InChIInChI=1S/C18H26N6O/c1-22(2)13-14-4-8-19-17(12-14)20-18(25)24-10-5-15(6-11-24)16-7-9-23(3)21-16/h4,7-9,12,15H,5-6,10-11,13H2,1-3H3,(H,19,20,25)
InChIKeyNWECXMFGXPQZSB-UHFFFAOYSA-N
XLogP2.29
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-N-[4-[(dimethylamino)methyl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 138025919
N-[2-(3-methylbutyl)pyrazol-3-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 136562918
ethyl 4-[[4-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 154752830
N-(1-methyl-6-oxopyridazin-3-yl)-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 138025521
4-(dimethylamino)-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-1-carboxamide
CID 167854454
(2,5-dimethylfuran-3-yl)-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 121021012
tert-butyl 4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate
CID 122270741
N-(3,4-dihydro-1H-isochromen-4-ylmethyl)-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 166285082
N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide
CID 131036172
N,N-dimethyl-4-[4-(1-methylpyrazol-3-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 121021010
1-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]-4-phenylbutane-1,4-dione
CID 121021005
N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 167876917

Frequently Asked Questions

What is the IUPAC name of N-[4-[(dimethylamino)methyl]-2-pyridinyl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-[4-[(dimethylamino)methyl]-2-pyridinyl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide (CID 138025916) is N-[4-[(dimethylamino)methyl]-2-pyridinyl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[4-[(dimethylamino)methyl]-2-pyridinyl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[4-[(dimethylamino)methyl]-2-pyridinyl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide is CN(C)Cc1ccnc(NC(=O)N2CCC(c3ccn(C)n3)CC2)c1.
What is the InChIKey of N-[4-[(dimethylamino)methyl]-2-pyridinyl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide?
The InChIKey is NWECXMFGXPQZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-22(2)13-14-4-8-19-17(12-14)20-18(25)24-10-5-15(6-11-24)16-7-9-23(3)21-16/h4,7-9,12,15H,5-6,10-11,13H2,1-3H3,(H,19,20,25).
What are the key properties of N-[4-[(dimethylamino)methyl]-2-pyridinyl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide?
N-[4-[(dimethylamino)methyl]-2-pyridinyl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(dimethylamino)methyl]-2-pyridinyl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 138025916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).