1-(3-amino-4-pyridinyl)-1-methylurea

C7H10N4O — CID 61357275

IUPAC1-(3-amino-4-pyridinyl)-1-methylurea
SMILESCN(C(N)=O)c1ccncc1N
InChIInChI=1S/C7H10N4O/c1-11(7(9)12)6-2-3-10-4-5(6)8/h2-4H,8H2,1H3,(H2,9,12)
InChIKeyNEAKXMNEVBRSSN-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.18
Rot. Bonds1

About 1-(3-amino-4-pyridinyl)-1-methylurea

1-(3-amino-4-pyridinyl)-1-methylurea (PubChem CID 61357275) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-(3-amino-4-pyridinyl)-1-methylurea.

Molecular Properties

Compound Name1-(3-amino-4-pyridinyl)-1-methylurea
PubChem CID61357275
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name1-(3-amino-4-pyridinyl)-1-methylurea
SMILESCN(C(N)=O)c1ccncc1N
InChIInChI=1S/C7H10N4O/c1-11(7(9)12)6-2-3-10-4-5(6)8/h2-4H,8H2,1H3,(H2,9,12)
InChIKeyNEAKXMNEVBRSSN-UHFFFAOYSA-N
XLogP0.18
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-pyridinyl)-3-chloro-N-methylpyridine-4-carboxamide
CID 66462789
N-(3-amino-4-pyridinyl)-N,3,5-trimethylbenzamide
CID 61359205
4-N,4-N-dimethylpyridine-3,4-diamine
CID 14088946
N-(3-amino-4-pyridinyl)-3,5-dibromo-N-methylbenzamide
CID 107971013
N-(3-amino-4-pyridinyl)-N-methylcycloheptanecarboxamide
CID 62585945
2-[(3-amino-4-pyridinyl)-methylamino]acetic acid
CID 62253485
N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzamide
CID 61360177
N-(3-amino-4-pyridinyl)-3,4-dichloro-N-methylbenzamide
CID 61358233
N-(3-amino-4-pyridinyl)-3-methoxy-N-methylpyridine-4-carboxamide
CID 105063003
N-(3-amino-4-pyridinyl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106892255
N-(3-amino-4-pyridinyl)-N,2,5-trimethylfuran-3-carboxamide
CID 61358427
2-[(3-amino-4-pyridinyl)-ethylamino]acetamide
CID 103101114

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-pyridinyl)-1-methylurea?
The IUPAC name of 1-(3-amino-4-pyridinyl)-1-methylurea (CID 61357275) is 1-(3-amino-4-pyridinyl)-1-methylurea.
What is the SMILES notation for 1-(3-amino-4-pyridinyl)-1-methylurea?
The canonical SMILES for 1-(3-amino-4-pyridinyl)-1-methylurea is CN(C(N)=O)c1ccncc1N.
What is the InChIKey of 1-(3-amino-4-pyridinyl)-1-methylurea?
The InChIKey is NEAKXMNEVBRSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-11(7(9)12)6-2-3-10-4-5(6)8/h2-4H,8H2,1H3,(H2,9,12).
What are the key properties of 1-(3-amino-4-pyridinyl)-1-methylurea?
1-(3-amino-4-pyridinyl)-1-methylurea has a molecular weight of 166.18 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-pyridinyl)-1-methylurea is sourced from PubChem (CID 61357275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).