N-[(1R,2R)-2-aminocyclobutyl]-5-methylpyridine-3-carboxamide

C11H15N3O — CID 175896521

IUPACN-[(1R,2R)-2-aminocyclobutyl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)N[C@@H]2CC[C@H]2N)c1
InChIInChI=1S/C11H15N3O/c1-7-4-8(6-13-5-7)11(15)14-10-3-2-9(10)12/h4-6,9-10H,2-3,12H2,1H3,(H,14,15)/t9-,10-/m1/s1
InChIKeyYRLPBICTGCIVGQ-NXEZZACHSA-N
MW205.26 g/mol
LogP0.61
Rot. Bonds2

About N-[(1R,2R)-2-aminocyclobutyl]-5-methylpyridine-3-carboxamide

N-[(1R,2R)-2-aminocyclobutyl]-5-methylpyridine-3-carboxamide (PubChem CID 175896521) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclobutyl]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclobutyl]-5-methylpyridine-3-carboxamide
PubChem CID175896521
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-[(1R,2R)-2-aminocyclobutyl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)N[C@@H]2CC[C@H]2N)c1
InChIInChI=1S/C11H15N3O/c1-7-4-8(6-13-5-7)11(15)14-10-3-2-9(10)12/h4-6,9-10H,2-3,12H2,1H3,(H,14,15)/t9-,10-/m1/s1
InChIKeyYRLPBICTGCIVGQ-NXEZZACHSA-N
XLogP0.61
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 110125986
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-5-methylpyridine-3-carboxamide
CID 110125585
N-[(3-aminocyclopentyl)methyl]-5-methylpyridine-3-carboxamide
CID 106121875
N-[(1S,3aS,6aR)-4-[(3-phenylphenyl)methyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-methylpyridine-3-carboxamide
CID 58408214
N-(2-aminocyclohexyl)-3-chloro-5-methylbenzamide
CID 81323198
N-(2-aminocyclohexyl)-4-methylbenzamide
CID 61037352
5-bromo-N-(2-methylcyclobutyl)pyridine-3-carboxamide
CID 130552943
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylpyridine-3-carboxamide
CID 114302241
acetic acid;N-[(1S,2S,4S)-2-hydroxy-4-[(5-methylpyrazin-2-yl)methylcarbamoyl]cyclohexyl]-5-methylpyridine-3-carboxamide
CID 163341340
(4-aminooxolan-3-yl)-(5-methyl-3-pyridinyl)methanone
CID 116587515
N-(2-aminocyclohexyl)-5-methylfuran-3-carboxamide
CID 114821924
N-(2-amino-1-cyclohexylethyl)-5-methylpyridine-3-carboxamide
CID 81486901

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclobutyl]-5-methylpyridine-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclobutyl]-5-methylpyridine-3-carboxamide (CID 175896521) is N-[(1R,2R)-2-aminocyclobutyl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclobutyl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclobutyl]-5-methylpyridine-3-carboxamide is Cc1cncc(C(=O)N[C@@H]2CC[C@H]2N)c1.
What is the InChIKey of N-[(1R,2R)-2-aminocyclobutyl]-5-methylpyridine-3-carboxamide?
The InChIKey is YRLPBICTGCIVGQ-NXEZZACHSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7-4-8(6-13-5-7)11(15)14-10-3-2-9(10)12/h4-6,9-10H,2-3,12H2,1H3,(H,14,15)/t9-,10-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclobutyl]-5-methylpyridine-3-carboxamide?
N-[(1R,2R)-2-aminocyclobutyl]-5-methylpyridine-3-carboxamide has a molecular weight of 205.26 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclobutyl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 175896521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).