N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide

C18H30N4O — CID 119654094

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCN(c2ccc(C(=O)N(C)CC(C)(C)CN)cn2)CC1
InChIInChI=1S/C18H30N4O/c1-14-7-9-22(10-8-14)16-6-5-15(11-20-16)17(23)21(4)13-18(2,3)12-19/h5-6,11,14H,7-10,12-13,19H2,1-4H3
InChIKeyQCCUHNXGRPRMJH-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.37
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide

N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide (PubChem CID 119654094) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
PubChem CID119654094
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCN(c2ccc(C(=O)N(C)CC(C)(C)CN)cn2)CC1
InChIInChI=1S/C18H30N4O/c1-14-7-9-22(10-8-14)16-6-5-15(11-20-16)17(23)21(4)13-18(2,3)12-19/h5-6,11,14H,7-10,12-13,19H2,1-4H3
InChIKeyQCCUHNXGRPRMJH-UHFFFAOYSA-N
XLogP2.37
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide (CID 119654094) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide is CC1CCN(c2ccc(C(=O)N(C)CC(C)(C)CN)cn2)CC1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?
The InChIKey is QCCUHNXGRPRMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-14-7-9-22(10-8-14)16-6-5-15(11-20-16)17(23)21(4)13-18(2,3)12-19/h5-6,11,14H,7-10,12-13,19H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide has a molecular weight of 318.47 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 119654094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).