4-[2-(carbamoylamino)ethylamino]pyridine-2-carboxamide

C9H13N5O2 — CID 83113933

IUPAC4-[2-(carbamoylamino)ethylamino]pyridine-2-carboxamide
SMILESNC(=O)NCCNc1ccnc(C(N)=O)c1
InChIInChI=1S/C9H13N5O2/c10-8(15)7-5-6(1-2-13-7)12-3-4-14-9(11)16/h1-2,5H,3-4H2,(H2,10,15)(H,12,13)(H3,11,14,16)
InChIKeyXFIGFJLCPVUMCQ-UHFFFAOYSA-N
MW223.24 g/mol
LogP-0.74
Rot. Bonds5

About 4-[2-(carbamoylamino)ethylamino]pyridine-2-carboxamide

4-[2-(carbamoylamino)ethylamino]pyridine-2-carboxamide (PubChem CID 83113933) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 4-[2-(carbamoylamino)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(carbamoylamino)ethylamino]pyridine-2-carboxamide
PubChem CID83113933
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name4-[2-(carbamoylamino)ethylamino]pyridine-2-carboxamide
SMILESNC(=O)NCCNc1ccnc(C(N)=O)c1
InChIInChI=1S/C9H13N5O2/c10-8(15)7-5-6(1-2-13-7)12-3-4-14-9(11)16/h1-2,5H,3-4H2,(H2,10,15)(H,12,13)(H3,11,14,16)
InChIKeyXFIGFJLCPVUMCQ-UHFFFAOYSA-N
XLogP-0.74
TPSA123.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-0.74
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

4-(6-hydroxyhexylamino)pyridine-2-carboxamide
CID 104880508
methyl 3-[(2-carbamoyl-4-pyridinyl)amino]propanoate
CID 60926082
4-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxamide
CID 62640887
4-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-2-carboxamide
CID 133313933
4-[(3-amino-2,2-difluoropropyl)amino]pyridine-2-carboxamide
CID 114384265
4-[2-(4-methylpyrazol-1-yl)ethylamino]pyridine-2-carboxamide
CID 104880080
4-[(3-amino-2,2-dimethylpropyl)amino]pyridine-2-carboxamide
CID 115366128
4-(2-prop-2-ynylsulfanylethylamino)pyridine-2-carboxamide
CID 104880103
2-[2-[(2-carbamoyl-4-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373373
4-(2,2-diphenylethylamino)pyridine-2-carboxamide
CID 133313862
4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxamide
CID 62228128
4-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-2-carboxamide
CID 63965708

Frequently Asked Questions

What is the IUPAC name of 4-[2-(carbamoylamino)ethylamino]pyridine-2-carboxamide?
The IUPAC name of 4-[2-(carbamoylamino)ethylamino]pyridine-2-carboxamide (CID 83113933) is 4-[2-(carbamoylamino)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(carbamoylamino)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for 4-[2-(carbamoylamino)ethylamino]pyridine-2-carboxamide is NC(=O)NCCNc1ccnc(C(N)=O)c1.
What is the InChIKey of 4-[2-(carbamoylamino)ethylamino]pyridine-2-carboxamide?
The InChIKey is XFIGFJLCPVUMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c10-8(15)7-5-6(1-2-13-7)12-3-4-14-9(11)16/h1-2,5H,3-4H2,(H2,10,15)(H,12,13)(H3,11,14,16).
What are the key properties of 4-[2-(carbamoylamino)ethylamino]pyridine-2-carboxamide?
4-[2-(carbamoylamino)ethylamino]pyridine-2-carboxamide has a molecular weight of 223.24 g/mol, XLogP of -0.74, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(carbamoylamino)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 83113933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).