(2R)-3-cyclopropyl-2-methyl-N-(4-methyl-3-pyridinyl)propanamide

C13H18N2O — CID 169408183

IUPAC(2R)-3-cyclopropyl-2-methyl-N-(4-methyl-3-pyridinyl)propanamide
SMILESCc1ccncc1NC(=O)[C@H](C)CC1CC1
InChIInChI=1S/C13H18N2O/c1-9-5-6-14-8-12(9)15-13(16)10(2)7-11-3-4-11/h5-6,8,10-11H,3-4,7H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeySRXLGHBNKKQZHE-SNVBAGLBSA-N
MW218.30 g/mol
LogP2.76
Rot. Bonds4

About (2R)-3-cyclopropyl-2-methyl-N-(4-methyl-3-pyridinyl)propanamide

(2R)-3-cyclopropyl-2-methyl-N-(4-methyl-3-pyridinyl)propanamide (PubChem CID 169408183) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (2R)-3-cyclopropyl-2-methyl-N-(4-methyl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name(2R)-3-cyclopropyl-2-methyl-N-(4-methyl-3-pyridinyl)propanamide
PubChem CID169408183
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(2R)-3-cyclopropyl-2-methyl-N-(4-methyl-3-pyridinyl)propanamide
SMILESCc1ccncc1NC(=O)[C@H](C)CC1CC1
InChIInChI=1S/C13H18N2O/c1-9-5-6-14-8-12(9)15-13(16)10(2)7-11-3-4-11/h5-6,8,10-11H,3-4,7H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeySRXLGHBNKKQZHE-SNVBAGLBSA-N
XLogP2.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis(4-methyl-3-pyridinyl)urea
CID 86818735
N-(5-amino-2-methylphenyl)-3-cyclohexyl-2-methylpropanamide
CID 120569231
(2S)-2-amino-4-methyl-N-(4-methyl-3-pyridinyl)pentanamide
CID 63327835
3-amino-2-methyl-N-(4-methyl-3-pyridinyl)butanamide;dihydrochloride
CID 120503193
2-acetamido-N-(4-methyl-3-pyridinyl)-3-sulfanylpropanamide
CID 107769542
3-amino-4-[(4-methyl-3-pyridinyl)amino]-4-oxobutanoic acid
CID 64894990
1-ethyl-3-(4-methyl-3-pyridinyl)urea
CID 115776522
4-hydroxy-N-(4-methyl-3-pyridinyl)pentanamide
CID 79191742
2-amino-3-methoxy-N-(4-methyl-3-pyridinyl)propanamide
CID 81089004
N-(4-methyl-3-pyridinyl)prop-2-enamide
CID 63327303
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methyl-3-pyridinyl)propanamide
CID 122279178
2-bromo-N-(4-methyl-3-pyridinyl)acetamide
CID 63678424

Frequently Asked Questions

What is the IUPAC name of (2R)-3-cyclopropyl-2-methyl-N-(4-methyl-3-pyridinyl)propanamide?
The IUPAC name of (2R)-3-cyclopropyl-2-methyl-N-(4-methyl-3-pyridinyl)propanamide (CID 169408183) is (2R)-3-cyclopropyl-2-methyl-N-(4-methyl-3-pyridinyl)propanamide.
What is the SMILES notation for (2R)-3-cyclopropyl-2-methyl-N-(4-methyl-3-pyridinyl)propanamide?
The canonical SMILES for (2R)-3-cyclopropyl-2-methyl-N-(4-methyl-3-pyridinyl)propanamide is Cc1ccncc1NC(=O)[C@H](C)CC1CC1.
What is the InChIKey of (2R)-3-cyclopropyl-2-methyl-N-(4-methyl-3-pyridinyl)propanamide?
The InChIKey is SRXLGHBNKKQZHE-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-5-6-14-8-12(9)15-13(16)10(2)7-11-3-4-11/h5-6,8,10-11H,3-4,7H2,1-2H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-3-cyclopropyl-2-methyl-N-(4-methyl-3-pyridinyl)propanamide?
(2R)-3-cyclopropyl-2-methyl-N-(4-methyl-3-pyridinyl)propanamide has a molecular weight of 218.30 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-cyclopropyl-2-methyl-N-(4-methyl-3-pyridinyl)propanamide is sourced from PubChem (CID 169408183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).