N-[2-(carbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide

C10H15N5O2 — CID 83115078

IUPACN-[2-(carbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCCNC(N)=O)ccn1
InChIInChI=1S/C10H15N5O2/c1-12-8-6-7(2-3-13-8)9(16)14-4-5-15-10(11)17/h2-3,6H,4-5H2,1H3,(H,12,13)(H,14,16)(H3,11,15,17)
InChIKeyINLGVBGOQOWGCK-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.48
Rot. Bonds5

About N-[2-(carbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide

N-[2-(carbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide (PubChem CID 83115078) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-[2-(carbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(carbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide
PubChem CID83115078
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC NameN-[2-(carbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCCNC(N)=O)ccn1
InChIInChI=1S/C10H15N5O2/c1-12-8-6-7(2-3-13-8)9(16)14-4-5-15-10(11)17/h2-3,6H,4-5H2,1H3,(H,12,13)(H,14,16)(H3,11,15,17)
InChIKeyINLGVBGOQOWGCK-UHFFFAOYSA-N
XLogP-0.48
TPSA109.14 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 62175030
2-(methylamino)-N-[2-(pyridine-3-carbonylamino)ethyl]pyridine-4-carboxamide
CID 74240609
N-(2-ethoxyethyl)-2-(methylamino)pyridine-4-carboxamide
CID 62185207
2-bromo-N-[2-(carbamoylamino)ethyl]pyridine-4-carboxamide
CID 103755430
2-(methylamino)pyridine-4-carboxamide
CID 45084294
N-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 62185958
2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 106015146
2-(methylamino)-N-(2-methylbutyl)pyridine-4-carboxamide
CID 62694012
2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 62166427
2-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 55042664
N-(1H-imidazol-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide
CID 64523208
N-[3-(4-methoxyphenyl)propyl]-2-(methylamino)pyridine-4-carboxamide
CID 74243419

Frequently Asked Questions

What is the IUPAC name of N-[2-(carbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-[2-(carbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide (CID 83115078) is N-[2-(carbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(carbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(carbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)NCCNC(N)=O)ccn1.
What is the InChIKey of N-[2-(carbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is INLGVBGOQOWGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-12-8-6-7(2-3-13-8)9(16)14-4-5-15-10(11)17/h2-3,6H,4-5H2,1H3,(H,12,13)(H,14,16)(H3,11,15,17).
What are the key properties of N-[2-(carbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide?
N-[2-(carbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 237.26 g/mol, XLogP of -0.48, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(carbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 83115078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).