N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-4-(pyrimidin-2-ylamino)butanamide

C16H22N6O — CID 95765900

IUPACN-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-4-(pyrimidin-2-ylamino)butanamide
SMILESCc1cn2c(n1)CC[C@@H](NC(=O)CCCNc1ncccn1)C2
InChIInChI=1S/C16H22N6O/c1-12-10-22-11-13(5-6-14(22)20-12)21-15(23)4-2-7-17-16-18-8-3-9-19-16/h3,8-10,13H,2,4-7,11H2,1H3,(H,21,23)(H,17,18,19)/t13-/m1/s1
InChIKeyNSXRSTAUBOAWQC-CYBMUJFWSA-N
MW314.39 g/mol
LogP1.30
Rot. Bonds6

About N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-4-(pyrimidin-2-ylamino)butanamide

N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-4-(pyrimidin-2-ylamino)butanamide (PubChem CID 95765900) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-4-(pyrimidin-2-ylamino)butanamide.

Molecular Properties

Compound NameN-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-4-(pyrimidin-2-ylamino)butanamide
PubChem CID95765900
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC NameN-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-4-(pyrimidin-2-ylamino)butanamide
SMILESCc1cn2c(n1)CC[C@@H](NC(=O)CCCNc1ncccn1)C2
InChIInChI=1S/C16H22N6O/c1-12-10-22-11-13(5-6-14(22)20-12)21-15(23)4-2-7-17-16-18-8-3-9-19-16/h3,8-10,13H,2,4-7,11H2,1H3,(H,21,23)(H,17,18,19)/t13-/m1/s1
InChIKeyNSXRSTAUBOAWQC-CYBMUJFWSA-N
XLogP1.30
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-thiophen-2-ylacetamide
CID 86772548
3-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide
CID 86772651
2-(2,5-dimethylphenyl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95737521
2-(3-methylphenyl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95788774
N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide
CID 95138623
2-(1-methylindol-3-yl)-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 86772729
N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-phenylmethoxyacetamide
CID 95765808
N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-3-(5-phenylfuran-2-yl)propanamide
CID 86772530
N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-(2-oxo-1,3-diazinan-1-yl)acetamide
CID 95766034
2,3-dimethyl-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzamide
CID 95765797
2-(2-ethyl-1,3-thiazol-4-yl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95765998
(2S)-2-methoxy-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide
CID 95765991

Frequently Asked Questions

What is the IUPAC name of N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-4-(pyrimidin-2-ylamino)butanamide?
The IUPAC name of N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-4-(pyrimidin-2-ylamino)butanamide (CID 95765900) is N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-4-(pyrimidin-2-ylamino)butanamide.
What is the SMILES notation for N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-4-(pyrimidin-2-ylamino)butanamide?
The canonical SMILES for N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-4-(pyrimidin-2-ylamino)butanamide is Cc1cn2c(n1)CC[C@@H](NC(=O)CCCNc1ncccn1)C2.
What is the InChIKey of N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-4-(pyrimidin-2-ylamino)butanamide?
The InChIKey is NSXRSTAUBOAWQC-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N6O/c1-12-10-22-11-13(5-6-14(22)20-12)21-15(23)4-2-7-17-16-18-8-3-9-19-16/h3,8-10,13H,2,4-7,11H2,1H3,(H,21,23)(H,17,18,19)/t13-/m1/s1.
What are the key properties of N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-4-(pyrimidin-2-ylamino)butanamide?
N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-4-(pyrimidin-2-ylamino)butanamide has a molecular weight of 314.39 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-4-(pyrimidin-2-ylamino)butanamide is sourced from PubChem (CID 95765900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).