2-amino-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxamide

C12H17N5O2 — CID 114194996

IUPAC2-amino-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxamide
SMILESCN(CC(=O)NC1CC1)c1cnc(N)cc1C(N)=O
InChIInChI=1S/C12H17N5O2/c1-17(6-11(18)16-7-2-3-7)9-5-15-10(13)4-8(9)12(14)19/h4-5,7H,2-3,6H2,1H3,(H2,13,15)(H2,14,19)(H,16,18)
InChIKeyCCMLIJRXMHKQJC-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.52
Rot. Bonds5

About 2-amino-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxamide

2-amino-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxamide (PubChem CID 114194996) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-amino-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxamide
PubChem CID114194996
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name2-amino-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxamide
SMILESCN(CC(=O)NC1CC1)c1cnc(N)cc1C(N)=O
InChIInChI=1S/C12H17N5O2/c1-17(6-11(18)16-7-2-3-7)9-5-15-10(13)4-8(9)12(14)19/h4-5,7H,2-3,6H2,1H3,(H2,13,15)(H2,14,19)(H,16,18)
InChIKeyCCMLIJRXMHKQJC-UHFFFAOYSA-N
XLogP-0.52
TPSA114.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-[cyclohexylmethyl(methyl)amino]pyridine-4-carboxamide
CID 114194912
2-[(5-aminopyrimidin-2-yl)-methylamino]-N-cyclopropylacetamide
CID 61145458
2-(5-amino-N,2-dimethylanilino)-N-cyclopropylacetamide
CID 62588683
2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-cyclopropylacetamide
CID 62464125
2-[(3-amino-4-pyridinyl)-methylamino]-N-cycloheptylacetamide
CID 62575287
2-[(5-amino-1H-indazol-6-yl)-methylamino]-N-cyclopropylacetamide
CID 107488994
2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide
CID 80820565
2-[(4-carbamothioylpyridazin-3-yl)-methylamino]-N-cyclopropylacetamide
CID 80511338
3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylbenzamide
CID 82989263
2-(2-amino-4-cyano-N-methylanilino)-N-cyclopropylacetamide
CID 43577880
methyl 2-amino-5-[cyclobutylmethyl(methyl)amino]pyridine-4-carboxylate
CID 114195070
methyl 4-amino-3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]benzoate
CID 82785492

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxamide (CID 114194996) is 2-amino-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxamide is CN(CC(=O)NC1CC1)c1cnc(N)cc1C(N)=O.
What is the InChIKey of 2-amino-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxamide?
The InChIKey is CCMLIJRXMHKQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-17(6-11(18)16-7-2-3-7)9-5-15-10(13)4-8(9)12(14)19/h4-5,7H,2-3,6H2,1H3,(H2,13,15)(H2,14,19)(H,16,18).
What are the key properties of 2-amino-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxamide?
2-amino-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxamide has a molecular weight of 263.30 g/mol, XLogP of -0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxamide is sourced from PubChem (CID 114194996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).