1-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-3-(1-hydroxybutan-2-yl)urea

C13H22N4O3 — CID 75449648

IUPAC1-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)Nc1c(N(C)C)ccnc1OC
InChIInChI=1S/C13H22N4O3/c1-5-9(8-18)15-13(19)16-11-10(17(2)3)6-7-14-12(11)20-4/h6-7,9,18H,5,8H2,1-4H3,(H2,15,16,19)
InChIKeyGRTGNHKTMVWBPV-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.05
Rot. Bonds6

About 1-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-3-(1-hydroxybutan-2-yl)urea

1-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-3-(1-hydroxybutan-2-yl)urea (PubChem CID 75449648) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-3-(1-hydroxybutan-2-yl)urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-3-(1-hydroxybutan-2-yl)urea
PubChem CID75449648
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name1-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)Nc1c(N(C)C)ccnc1OC
InChIInChI=1S/C13H22N4O3/c1-5-9(8-18)15-13(19)16-11-10(17(2)3)6-7-14-12(11)20-4/h6-7,9,18H,5,8H2,1-4H3,(H2,15,16,19)
InChIKeyGRTGNHKTMVWBPV-UHFFFAOYSA-N
XLogP1.05
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pentanamide
CID 43701419
(E)-4-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]-4-oxobut-2-enoic acid
CID 54867953
N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-2-methyl-2-(methylamino)propanamide
CID 62836562
2-chloro-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pyridine-4-carboxamide
CID 60779013
3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-carboxamide
CID 63172401
6-chloro-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pyridine-3-carboxamide
CID 60779060
1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 110890372
4-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-1-methylpyrrole-2-carboxamide
CID 60955985
3-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]-2-methylbutan-2-ol
CID 65337596
N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-4-methoxypyrrolidine-2-carboxamide
CID 61213316
2-methoxy-4-N,4-N-dimethyl-3-N-(pyridin-4-ylmethyl)pyridine-3,4-diamine
CID 43678938
2-methoxy-3-N-(4-methoxy-4-methylpentan-2-yl)-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678871

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-3-(1-hydroxybutan-2-yl)urea?
The IUPAC name of 1-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-3-(1-hydroxybutan-2-yl)urea (CID 75449648) is 1-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-3-(1-hydroxybutan-2-yl)urea.
What is the SMILES notation for 1-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-3-(1-hydroxybutan-2-yl)urea?
The canonical SMILES for 1-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-3-(1-hydroxybutan-2-yl)urea is CCC(CO)NC(=O)Nc1c(N(C)C)ccnc1OC.
What is the InChIKey of 1-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-3-(1-hydroxybutan-2-yl)urea?
The InChIKey is GRTGNHKTMVWBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-5-9(8-18)15-13(19)16-11-10(17(2)3)6-7-14-12(11)20-4/h6-7,9,18H,5,8H2,1-4H3,(H2,15,16,19).
What are the key properties of 1-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-3-(1-hydroxybutan-2-yl)urea?
1-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-3-(1-hydroxybutan-2-yl)urea has a molecular weight of 282.34 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-3-(1-hydroxybutan-2-yl)urea is sourced from PubChem (CID 75449648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).