N-cycloheptyl-2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetamide

C19H31N3O — CID 124850332

IUPACN-cycloheptyl-2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetamide
SMILESCc1cccnc1C[C@@H](C)N(C)CC(=O)NC1CCCCCC1
InChIInChI=1S/C19H31N3O/c1-15-9-8-12-20-18(15)13-16(2)22(3)14-19(23)21-17-10-6-4-5-7-11-17/h8-9,12,16-17H,4-7,10-11,13-14H2,1-3H3,(H,21,23)/t16-/m1/s1
InChIKeyQKCKSACJWDUETQ-MRXNPFEDSA-N
MW317.48 g/mol
LogP3.09
Rot. Bonds6

About N-cycloheptyl-2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetamide

N-cycloheptyl-2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetamide (PubChem CID 124850332) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is N-cycloheptyl-2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetamide
PubChem CID124850332
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC NameN-cycloheptyl-2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetamide
SMILESCc1cccnc1C[C@@H](C)N(C)CC(=O)NC1CCCCCC1
InChIInChI=1S/C19H31N3O/c1-15-9-8-12-20-18(15)13-16(2)22(3)14-19(23)21-17-10-6-4-5-7-11-17/h8-9,12,16-17H,4-7,10-11,13-14H2,1-3H3,(H,21,23)/t16-/m1/s1
InChIKeyQKCKSACJWDUETQ-MRXNPFEDSA-N
XLogP3.09
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetyl]amino]benzoic acid
CID 124848013
1-cyclooctyl-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66447669
N-cyclooctyl-2-[[(1S)-2-methoxy-1-pyridin-2-ylethyl]-methylamino]acetamide
CID 95136390
1-cyclohexyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446086
1-cyclooctyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446277
2-[[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]methyl]benzoic acid
CID 95225327
2-[1-cyanopropan-2-yl(methyl)amino]-N-cyclopentylacetamide
CID 63228388
2-(N-acetyl-2,6-dimethylanilino)-N-cyclohexylacetamide
CID 113168633
2-(3-methyl-2-pyridinyl)-N-[(3S)-piperidin-3-yl]acetamide
CID 107148570
N-cyclopentyl-4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-oxobutanamide
CID 46989818
1-cycloheptyl-3-(3-methyl-2-pyridinyl)propan-2-one
CID 114458215
N-cycloheptyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 38510500

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetamide?
The IUPAC name of N-cycloheptyl-2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetamide (CID 124850332) is N-cycloheptyl-2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetamide?
The canonical SMILES for N-cycloheptyl-2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetamide is Cc1cccnc1C[C@@H](C)N(C)CC(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetamide?
The InChIKey is QKCKSACJWDUETQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H31N3O/c1-15-9-8-12-20-18(15)13-16(2)22(3)14-19(23)21-17-10-6-4-5-7-11-17/h8-9,12,16-17H,4-7,10-11,13-14H2,1-3H3,(H,21,23)/t16-/m1/s1.
What are the key properties of N-cycloheptyl-2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetamide?
N-cycloheptyl-2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetamide has a molecular weight of 317.48 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetamide is sourced from PubChem (CID 124850332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).