1-[3-(2-hydroxyethylamino)-4-pyridinyl]-1-iminopropan-2-one

C10H13N3O2 — CID 123801734

IUPAC1-[3-(2-hydroxyethylamino)-4-pyridinyl]-1-iminopropan-2-one
SMILES[H]/N=C(\C(C)=O)c1ccncc1NCCO
InChIInChI=1S/C10H13N3O2/c1-7(15)10(11)8-2-3-12-6-9(8)13-4-5-14/h2-3,6,11,13-14H,4-5H2,1H3/b11-10+
InChIKeyRZFGKQQWZXHYKF-ZHACJKMWSA-N
MW207.23 g/mol
LogP0.44
Rot. Bonds5

About 1-[3-(2-hydroxyethylamino)-4-pyridinyl]-1-iminopropan-2-one

1-[3-(2-hydroxyethylamino)-4-pyridinyl]-1-iminopropan-2-one (PubChem CID 123801734) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-[3-(2-hydroxyethylamino)-4-pyridinyl]-1-iminopropan-2-one.

Molecular Properties

Compound Name1-[3-(2-hydroxyethylamino)-4-pyridinyl]-1-iminopropan-2-one
PubChem CID123801734
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-[3-(2-hydroxyethylamino)-4-pyridinyl]-1-iminopropan-2-one
SMILES[H]/N=C(\C(C)=O)c1ccncc1NCCO
InChIInChI=1S/C10H13N3O2/c1-7(15)10(11)8-2-3-12-6-9(8)13-4-5-14/h2-3,6,11,13-14H,4-5H2,1H3/b11-10+
InChIKeyRZFGKQQWZXHYKF-ZHACJKMWSA-N
XLogP0.44
TPSA86.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-hydroxypentyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 107201068
N-(2-butoxyethyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105069592
6-methyl-N-[1-(methylideneamino)buta-1,3-dienyl]-3-[2-[[4-(2-oxopropanimidoyl)-3-pyridinyl]amino]acetyl]-3-azabicyclo[3.1.0]hex-5-ene-2-carboxamide
CID 123847590
1-[2-[[4-(2-amino-2-oxoethanimidoyl)-3-pyridinyl]amino]acetyl]-5-ethylpyrrolidine-2-carboxamide
CID 123174515
2-[[3-(ethylamino)pyridine-4-carbonyl]amino]ethyl carbamate
CID 105071026
N-[3-(dimethylamino)propyl]-3-(propylamino)pyridine-4-carboxamide
CID 105068347
N-methyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide
CID 106937266
2-[[3-(2-amino-2-oxoethanimidoyl)-4-pyridinyl]amino]acetic acid
CID 90063276
N-cyclopentyl-3-(ethylamino)pyridine-4-carboxamide
CID 105068169
N-(2-hydroxyethyl)-3-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 107486117
3-(ethylamino)-N-methyl-N-propylpyridine-4-carboxamide
CID 105068562
N-(3-butoxypropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071243

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxyethylamino)-4-pyridinyl]-1-iminopropan-2-one?
The IUPAC name of 1-[3-(2-hydroxyethylamino)-4-pyridinyl]-1-iminopropan-2-one (CID 123801734) is 1-[3-(2-hydroxyethylamino)-4-pyridinyl]-1-iminopropan-2-one.
What is the SMILES notation for 1-[3-(2-hydroxyethylamino)-4-pyridinyl]-1-iminopropan-2-one?
The canonical SMILES for 1-[3-(2-hydroxyethylamino)-4-pyridinyl]-1-iminopropan-2-one is [H]/N=C(\C(C)=O)c1ccncc1NCCO.
What is the InChIKey of 1-[3-(2-hydroxyethylamino)-4-pyridinyl]-1-iminopropan-2-one?
The InChIKey is RZFGKQQWZXHYKF-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-7(15)10(11)8-2-3-12-6-9(8)13-4-5-14/h2-3,6,11,13-14H,4-5H2,1H3/b11-10+.
What are the key properties of 1-[3-(2-hydroxyethylamino)-4-pyridinyl]-1-iminopropan-2-one?
1-[3-(2-hydroxyethylamino)-4-pyridinyl]-1-iminopropan-2-one has a molecular weight of 207.23 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxyethylamino)-4-pyridinyl]-1-iminopropan-2-one is sourced from PubChem (CID 123801734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).