1-[(2S)-6-methylheptan-2-yl]-3-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]urea

C18H27N5O2 — CID 51659196

IUPAC1-[(2S)-6-methylheptan-2-yl]-3-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]urea
SMILESCc1nc2ccccn2c1C(=O)NNC(=O)N[C@@H](C)CCCC(C)C
InChIInChI=1S/C18H27N5O2/c1-12(2)8-7-9-13(3)19-18(25)22-21-17(24)16-14(4)20-15-10-5-6-11-23(15)16/h5-6,10-13H,7-9H2,1-4H3,(H,21,24)(H2,19,22,25)/t13-/m0/s1
InChIKeyIOACMWNBAYWIIH-ZDUSSCGKSA-N
MW345.45 g/mol
LogP2.80
Rot. Bonds6

About 1-[(2S)-6-methylheptan-2-yl]-3-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]urea

1-[(2S)-6-methylheptan-2-yl]-3-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]urea (PubChem CID 51659196) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-[(2S)-6-methylheptan-2-yl]-3-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]urea.

Molecular Properties

Compound Name1-[(2S)-6-methylheptan-2-yl]-3-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]urea
PubChem CID51659196
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name1-[(2S)-6-methylheptan-2-yl]-3-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]urea
SMILESCc1nc2ccccn2c1C(=O)NNC(=O)N[C@@H](C)CCCC(C)C
InChIInChI=1S/C18H27N5O2/c1-12(2)8-7-9-13(3)19-18(25)22-21-17(24)16-14(4)20-15-10-5-6-11-23(15)16/h5-6,10-13H,7-9H2,1-4H3,(H,21,24)(H2,19,22,25)/t13-/m0/s1
InChIKeyIOACMWNBAYWIIH-ZDUSSCGKSA-N
XLogP2.80
TPSA87.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 789702
2-methyl-N'-(3-methylsulfanylpropanoyl)imidazo[1,2-a]pyridine-3-carbohydrazide
CID 24644397
3-methyl-2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]pentanoic acid
CID 82032893
2-(methylamino)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 84777303
2-methyl-N'-(9-oxofluorene-2-carbonyl)imidazo[1,2-a]pyridine-3-carbohydrazide
CID 24619999
N'-(3,5-dinitrobenzoyl)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 27699260
2-methyl-N-[4-(propanoylamino)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 649714
N-[1-(4-methoxyphenyl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 56698718
1-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-(4-methylphenyl)thiourea
CID 10088570
N'-(1-benzylpyrazole-4-carbonyl)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 24541606
N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide
CID 24541645
N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90624966

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-6-methylheptan-2-yl]-3-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]urea?
The IUPAC name of 1-[(2S)-6-methylheptan-2-yl]-3-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]urea (CID 51659196) is 1-[(2S)-6-methylheptan-2-yl]-3-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]urea.
What is the SMILES notation for 1-[(2S)-6-methylheptan-2-yl]-3-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]urea?
The canonical SMILES for 1-[(2S)-6-methylheptan-2-yl]-3-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]urea is Cc1nc2ccccn2c1C(=O)NNC(=O)N[C@@H](C)CCCC(C)C.
What is the InChIKey of 1-[(2S)-6-methylheptan-2-yl]-3-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]urea?
The InChIKey is IOACMWNBAYWIIH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-12(2)8-7-9-13(3)19-18(25)22-21-17(24)16-14(4)20-15-10-5-6-11-23(15)16/h5-6,10-13H,7-9H2,1-4H3,(H,21,24)(H2,19,22,25)/t13-/m0/s1.
What are the key properties of 1-[(2S)-6-methylheptan-2-yl]-3-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]urea?
1-[(2S)-6-methylheptan-2-yl]-3-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]urea has a molecular weight of 345.45 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-6-methylheptan-2-yl]-3-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]urea is sourced from PubChem (CID 51659196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).