5-chloro-2-(ethylamino)-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide

C12H14ClN5O — CID 114923933

IUPAC5-chloro-2-(ethylamino)-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NCc2cnc[nH]2)c(Cl)cn1
InChIInChI=1S/C12H14ClN5O/c1-2-15-11-3-9(10(13)6-16-11)12(19)17-5-8-4-14-7-18-8/h3-4,6-7H,2,5H2,1H3,(H,14,18)(H,15,16)(H,17,19)
InChIKeyVLCXDONSSNVJFK-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.82
Rot. Bonds5

About 5-chloro-2-(ethylamino)-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide

5-chloro-2-(ethylamino)-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide (PubChem CID 114923933) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 5-chloro-2-(ethylamino)-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(ethylamino)-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide
PubChem CID114923933
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name5-chloro-2-(ethylamino)-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NCc2cnc[nH]2)c(Cl)cn1
InChIInChI=1S/C12H14ClN5O/c1-2-15-11-3-9(10(13)6-16-11)12(19)17-5-8-4-14-7-18-8/h3-4,6-7H,2,5H2,1H3,(H,14,18)(H,15,16)(H,17,19)
InChIKeyVLCXDONSSNVJFK-UHFFFAOYSA-N
XLogP1.82
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2,3-dimethylbutyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114923804
5-chloro-2-(ethylamino)-N-(2-methyl-2-methylsulfanylpropyl)pyridine-4-carboxamide
CID 114924529
5-chloro-2-(ethylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide
CID 114923526
5-chloro-2-(ethylamino)-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 114924532
5-chloro-2-(ethylamino)-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide
CID 114923855
5-chloro-2-(ethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide
CID 114921831
N-(2-butoxyethyl)-5-chloro-2-(ethylamino)pyridine-4-carboxamide
CID 114923111
5-chloro-2-(ethylamino)-N-(4-methylcyclohexyl)pyridine-4-carboxamide
CID 104983746
5-chloro-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]pyridine-4-carboxamide
CID 114924749
N-[2-(2-amino-2-oxoethoxy)ethyl]-5-chloro-2-(ethylamino)pyridine-4-carboxamide
CID 106241240
5-chloro-2-(ethylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide
CID 106050087
5-chloro-N-cyclohexyl-2-(ethylamino)pyridine-4-carboxamide
CID 114921677

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(ethylamino)-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-2-(ethylamino)-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide (CID 114923933) is 5-chloro-2-(ethylamino)-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-(ethylamino)-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-2-(ethylamino)-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide is CCNc1cc(C(=O)NCc2cnc[nH]2)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-(ethylamino)-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide?
The InChIKey is VLCXDONSSNVJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-2-15-11-3-9(10(13)6-16-11)12(19)17-5-8-4-14-7-18-8/h3-4,6-7H,2,5H2,1H3,(H,14,18)(H,15,16)(H,17,19).
What are the key properties of 5-chloro-2-(ethylamino)-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide?
5-chloro-2-(ethylamino)-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide has a molecular weight of 279.73 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(ethylamino)-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 114923933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).