3-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-6-(ethylamino)pyridine-2-carboxamide

C15H25ClN4O — CID 103191078

IUPAC3-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-6-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccc(Cl)c(C(=O)N(CC)C(C)CN(C)C)n1
InChIInChI=1S/C15H25ClN4O/c1-6-17-13-9-8-12(16)14(18-13)15(21)20(7-2)11(3)10-19(4)5/h8-9,11H,6-7,10H2,1-5H3,(H,17,18)
InChIKeyQLCQMFOSXBMBNV-UHFFFAOYSA-N
MW312.85 g/mol
LogP2.58
Rot. Bonds7

About 3-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-6-(ethylamino)pyridine-2-carboxamide

3-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-6-(ethylamino)pyridine-2-carboxamide (PubChem CID 103191078) has the molecular formula C15H25ClN4O and a molecular weight of 312.85 g/mol. Its IUPAC name is 3-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-6-(ethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-6-(ethylamino)pyridine-2-carboxamide
PubChem CID103191078
Molecular FormulaC15H25ClN4O
Molecular Weight312.85 g/mol
Exact Mass312.17
IUPAC Name3-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-6-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccc(Cl)c(C(=O)N(CC)C(C)CN(C)C)n1
InChIInChI=1S/C15H25ClN4O/c1-6-17-13-9-8-12(16)14(18-13)15(21)20(7-2)11(3)10-19(4)5/h8-9,11H,6-7,10H2,1-5H3,(H,17,18)
InChIKeyQLCQMFOSXBMBNV-UHFFFAOYSA-N
XLogP2.58
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyridine amide, 13
CID 44236999
2-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 24686910
N-cyclohexyl-6-(piperidin-1-yl)picolinamide
CID 67467060
N-[(5S)-5-acetamido-6-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-6-oxohexyl]prop-2-enamide
CID 71462878
2-Chloro-6-(4-{[(5-methyl-1h-pyrrol-2-yl)carbonyl]amino}-1-piperidinyl)isonicotinamide
CID 57394260
N-(5-chloropyridin-2-yl)pyridine-2-carboxamide
CID 3421108
4-chloro-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 25346044
N-[6-(2-aminopropanamido)-4-chloropyridin-2-yl]pyridine-2-carboxamide
CID 117902638
4-chloro-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
CID 53553450
US10343992, Example 24
CID 146676337
6-amino-3-chloro-N,N-dimethylpyridine-2-carboxamide
CID 62154321
N-methyl-6-[2-(3-methylpiperidin-1-yl)ethylamino]pyridine-2-carboxamide
CID 71862484

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-6-(ethylamino)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-6-(ethylamino)pyridine-2-carboxamide (CID 103191078) is 3-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-6-(ethylamino)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-6-(ethylamino)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-6-(ethylamino)pyridine-2-carboxamide is CCNc1ccc(Cl)c(C(=O)N(CC)C(C)CN(C)C)n1.
What is the InChIKey of 3-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-6-(ethylamino)pyridine-2-carboxamide?
The InChIKey is QLCQMFOSXBMBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O/c1-6-17-13-9-8-12(16)14(18-13)15(21)20(7-2)11(3)10-19(4)5/h8-9,11H,6-7,10H2,1-5H3,(H,17,18).
What are the key properties of 3-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-6-(ethylamino)pyridine-2-carboxamide?
3-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-6-(ethylamino)pyridine-2-carboxamide has a molecular weight of 312.85 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-6-(ethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 103191078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).