4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]but-3-enamide

C10H13N3O2 — CID 170797876

IUPAC4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]but-3-enamide
SMILESNC(=O)CC=Cc1cnc(N)c(CO)c1
InChIInChI=1S/C10H13N3O2/c11-9(15)3-1-2-7-4-8(6-14)10(12)13-5-7/h1-2,4-5,14H,3,6H2,(H2,11,15)(H2,12,13)
InChIKeyOMESJIAZQINYDL-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.04
Rot. Bonds4

About 4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]but-3-enamide

4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]but-3-enamide (PubChem CID 170797876) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]but-3-enamide.

Molecular Properties

Compound Name4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]but-3-enamide
PubChem CID170797876
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]but-3-enamide
SMILESNC(=O)CC=Cc1cnc(N)c(CO)c1
InChIInChI=1S/C10H13N3O2/c11-9(15)3-1-2-7-4-8(6-14)10(12)13-5-7/h1-2,4-5,14H,3,6H2,(H2,11,15)(H2,12,13)
InChIKeyOMESJIAZQINYDL-UHFFFAOYSA-N
XLogP0.04
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-[6-amino-5-(hydroxymethyl)-3-pyridinyl]prop-2-enoate
CID 22138225
4-(5-formyl-3-pyridinyl)but-3-enamide
CID 170797651
tert-butyl N-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]but-3-enyl]carbamate
CID 170490429
4-(2,6-dichloro-4-pyridinyl)but-3-enamide
CID 170798983
4-(6-chloro-3-pyridinyl)but-3-enamide
CID 170797349
4-[2-(methylamino)pyrimidin-5-yl]but-3-enamide
CID 170797688
4-[2-amino-5-(trifluoromethyl)-3-pyridinyl]but-3-enamide
CID 170798498
4-[5-(hydroxymethyl)thiophen-3-yl]but-3-enamide
CID 170797314
4-[3-fluoro-5-(hydroxymethyl)phenyl]but-3-enamide
CID 170797801
4-(3,5-dimethylphenyl)but-3-enamide
CID 170797430
4-(6-amino-5-cyano-3-pyridinyl)but-3-enoic acid
CID 170483669
4-(6-amino-5-methoxy-3-pyridinyl)but-3-enoic acid
CID 170483537

Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]but-3-enamide?
The IUPAC name of 4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]but-3-enamide (CID 170797876) is 4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]but-3-enamide.
What is the SMILES notation for 4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]but-3-enamide?
The canonical SMILES for 4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]but-3-enamide is NC(=O)CC=Cc1cnc(N)c(CO)c1.
What is the InChIKey of 4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]but-3-enamide?
The InChIKey is OMESJIAZQINYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-9(15)3-1-2-7-4-8(6-14)10(12)13-5-7/h1-2,4-5,14H,3,6H2,(H2,11,15)(H2,12,13).
What are the key properties of 4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]but-3-enamide?
4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]but-3-enamide has a molecular weight of 207.23 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]but-3-enamide is sourced from PubChem (CID 170797876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).