N,N-dimethyl-6-[(4-propan-2-ylcycloheptyl)amino]pyridine-3-carboxamide

C18H29N3O — CID 133479815

IUPACN,N-dimethyl-6-[(4-propan-2-ylcycloheptyl)amino]pyridine-3-carboxamide
SMILESCC(C)C1CCCC(Nc2ccc(C(=O)N(C)C)cn2)CC1
InChIInChI=1S/C18H29N3O/c1-13(2)14-6-5-7-16(10-8-14)20-17-11-9-15(12-19-17)18(22)21(3)4/h9,11-14,16H,5-8,10H2,1-4H3,(H,19,20)
InChIKeyCVHDMJRVWFMJIP-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.80
Rot. Bonds4

About N,N-dimethyl-6-[(4-propan-2-ylcycloheptyl)amino]pyridine-3-carboxamide

N,N-dimethyl-6-[(4-propan-2-ylcycloheptyl)amino]pyridine-3-carboxamide (PubChem CID 133479815) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N,N-dimethyl-6-[(4-propan-2-ylcycloheptyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[(4-propan-2-ylcycloheptyl)amino]pyridine-3-carboxamide
PubChem CID133479815
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN,N-dimethyl-6-[(4-propan-2-ylcycloheptyl)amino]pyridine-3-carboxamide
SMILESCC(C)C1CCCC(Nc2ccc(C(=O)N(C)C)cn2)CC1
InChIInChI=1S/C18H29N3O/c1-13(2)14-6-5-7-16(10-8-14)20-17-11-9-15(12-19-17)18(22)21(3)4/h9,11-14,16H,5-8,10H2,1-4H3,(H,19,20)
InChIKeyCVHDMJRVWFMJIP-UHFFFAOYSA-N
XLogP3.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Dipyridodiazepinone deriv. 21
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CID 463555
Phenatine
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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[(4-propan-2-ylcycloheptyl)amino]pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-6-[(4-propan-2-ylcycloheptyl)amino]pyridine-3-carboxamide (CID 133479815) is N,N-dimethyl-6-[(4-propan-2-ylcycloheptyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-[(4-propan-2-ylcycloheptyl)amino]pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-6-[(4-propan-2-ylcycloheptyl)amino]pyridine-3-carboxamide is CC(C)C1CCCC(Nc2ccc(C(=O)N(C)C)cn2)CC1.
What is the InChIKey of N,N-dimethyl-6-[(4-propan-2-ylcycloheptyl)amino]pyridine-3-carboxamide?
The InChIKey is CVHDMJRVWFMJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-13(2)14-6-5-7-16(10-8-14)20-17-11-9-15(12-19-17)18(22)21(3)4/h9,11-14,16H,5-8,10H2,1-4H3,(H,19,20).
What are the key properties of N,N-dimethyl-6-[(4-propan-2-ylcycloheptyl)amino]pyridine-3-carboxamide?
N,N-dimethyl-6-[(4-propan-2-ylcycloheptyl)amino]pyridine-3-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[(4-propan-2-ylcycloheptyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 133479815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).