N-(3-chloro-2-pyridinyl)-4-(ethylamino)pyridine-3-carboxamide

C13H13ClN4O — CID 103094868

IUPACN-(3-chloro-2-pyridinyl)-4-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)Nc1ncccc1Cl
InChIInChI=1S/C13H13ClN4O/c1-2-16-11-5-7-15-8-9(11)13(19)18-12-10(14)4-3-6-17-12/h3-8H,2H2,1H3,(H,15,16)(H,17,18,19)
InChIKeyYSABXRNZLVMPOC-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.81
Rot. Bonds4

About N-(3-chloro-2-pyridinyl)-4-(ethylamino)pyridine-3-carboxamide

N-(3-chloro-2-pyridinyl)-4-(ethylamino)pyridine-3-carboxamide (PubChem CID 103094868) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-4-(ethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-4-(ethylamino)pyridine-3-carboxamide
PubChem CID103094868
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC NameN-(3-chloro-2-pyridinyl)-4-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)Nc1ncccc1Cl
InChIInChI=1S/C13H13ClN4O/c1-2-16-11-5-7-15-8-9(11)13(19)18-12-10(14)4-3-6-17-12/h3-8H,2H2,1H3,(H,15,16)(H,17,18,19)
InChIKeyYSABXRNZLVMPOC-UHFFFAOYSA-N
XLogP2.81
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-pyridinyl)-2-(ethylamino)benzamide
CID 103094805
N-(3-bromo-4-chlorophenyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81245404
N-(3-chloro-2-pyridinyl)-4-(ethylamino)benzamide
CID 103094902
4-(ethylamino)-N-(4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 81241556
N-[1-(2-chlorophenyl)ethyl]-4-(ethylamino)pyridine-3-carboxamide
CID 81238108
N-(2-bromophenyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81236092
4-(ethylamino)-N-(5-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 81233596
N-(2-chloro-5-methoxyphenyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81237548
N-(2,6-dimethyl-3-pyridinyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81245038
4-(ethylamino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 81235983
N-(3-ethoxyphenyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81237400
4-(ethylamino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 81235788

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-4-(ethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-4-(ethylamino)pyridine-3-carboxamide (CID 103094868) is N-(3-chloro-2-pyridinyl)-4-(ethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-4-(ethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-4-(ethylamino)pyridine-3-carboxamide is CCNc1ccncc1C(=O)Nc1ncccc1Cl.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-4-(ethylamino)pyridine-3-carboxamide?
The InChIKey is YSABXRNZLVMPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-2-16-11-5-7-15-8-9(11)13(19)18-12-10(14)4-3-6-17-12/h3-8H,2H2,1H3,(H,15,16)(H,17,18,19).
What are the key properties of N-(3-chloro-2-pyridinyl)-4-(ethylamino)pyridine-3-carboxamide?
N-(3-chloro-2-pyridinyl)-4-(ethylamino)pyridine-3-carboxamide has a molecular weight of 276.73 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-4-(ethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 103094868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).