N-[(4-chlorophenyl)methyl]-3-(ethylamino)-N-methylpyridine-4-carboxamide

C16H18ClN3O — CID 105069615

IUPACN-[(4-chlorophenyl)methyl]-3-(ethylamino)-N-methylpyridine-4-carboxamide
SMILESCCNc1cnccc1C(=O)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3O/c1-3-19-15-10-18-9-8-14(15)16(21)20(2)11-12-4-6-13(17)7-5-12/h4-10,19H,3,11H2,1-2H3
InChIKeyRJNRPNQIOGIBRU-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.44
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-3-(ethylamino)-N-methylpyridine-4-carboxamide

N-[(4-chlorophenyl)methyl]-3-(ethylamino)-N-methylpyridine-4-carboxamide (PubChem CID 105069615) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(ethylamino)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(ethylamino)-N-methylpyridine-4-carboxamide
PubChem CID105069615
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(ethylamino)-N-methylpyridine-4-carboxamide
SMILESCCNc1cnccc1C(=O)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3O/c1-3-19-15-10-18-9-8-14(15)16(21)20(2)11-12-4-6-13(17)7-5-12/h4-10,19H,3,11H2,1-2H3
InChIKeyRJNRPNQIOGIBRU-UHFFFAOYSA-N
XLogP3.44
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 81242281
3-(ethylamino)-N-methyl-N-propylpyridine-4-carboxamide
CID 105068562
N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methylpyridine-3-carboxamide
CID 81238819
3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 66482539
4-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 81225270
5-chloro-N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 62177619
3-(ethylamino)-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-4-carboxamide
CID 105071494
3-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 105069144
N-[(4-chloro-3-fluorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 118740695
4-(ethylamino)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 81240912
5-chloro-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 53016447
3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 113240917

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(ethylamino)-N-methylpyridine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(ethylamino)-N-methylpyridine-4-carboxamide (CID 105069615) is N-[(4-chlorophenyl)methyl]-3-(ethylamino)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(ethylamino)-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(ethylamino)-N-methylpyridine-4-carboxamide is CCNc1cnccc1C(=O)N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(ethylamino)-N-methylpyridine-4-carboxamide?
The InChIKey is RJNRPNQIOGIBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-3-19-15-10-18-9-8-14(15)16(21)20(2)11-12-4-6-13(17)7-5-12/h4-10,19H,3,11H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(ethylamino)-N-methylpyridine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-3-(ethylamino)-N-methylpyridine-4-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(ethylamino)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 105069615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).