N-cyclopropyl-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide

C12H17N3O — CID 81404358

IUPACN-cyclopropyl-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)NC1CC1)c1cccnc1
InChIInChI=1S/C12H17N3O/c1-9(10-3-2-6-13-7-10)14-8-12(16)15-11-4-5-11/h2-3,6-7,9,11,14H,4-5,8H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyVYXCYFAKBCXPQI-SECBINFHSA-N
MW219.29 g/mol
LogP1.01
Rot. Bonds5

About N-cyclopropyl-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide

N-cyclopropyl-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide (PubChem CID 81404358) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-cyclopropyl-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide
PubChem CID81404358
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-cyclopropyl-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)NC1CC1)c1cccnc1
InChIInChI=1S/C12H17N3O/c1-9(10-3-2-6-13-7-10)14-8-12(16)15-11-4-5-11/h2-3,6-7,9,11,14H,4-5,8H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyVYXCYFAKBCXPQI-SECBINFHSA-N
XLogP1.01
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-[[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]amino]acetamide
CID 97334723
3-amino-N-cyclopropyl-3-pyridin-3-ylpropanamide
CID 82077122
N-cyclopentyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
CID 81409773
2-methylidene-N-(1-pyridin-3-ylethyl)butan-1-amine
CID 66047112
N-cycloheptyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 63867372
4-(1-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61196946
2-(cyclopentylamino)-N-[(1R)-1-pyridin-3-ylethyl]acetamide
CID 81404213
2-[1-(4-bromophenyl)ethylamino]-N-cyclopropylacetamide
CID 43398074
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
2-[[(1R)-1-pyridin-3-ylethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81404885
N-(4-fluorophenyl)-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide
CID 81404886
3-(cyclopropylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 81404464

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide (CID 81404358) is N-cyclopropyl-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide is C[C@@H](NCC(=O)NC1CC1)c1cccnc1.
What is the InChIKey of N-cyclopropyl-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide?
The InChIKey is VYXCYFAKBCXPQI-SECBINFHSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9(10-3-2-6-13-7-10)14-8-12(16)15-11-4-5-11/h2-3,6-7,9,11,14H,4-5,8H2,1H3,(H,15,16)/t9-/m1/s1.
What are the key properties of N-cyclopropyl-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide?
N-cyclopropyl-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide has a molecular weight of 219.29 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide is sourced from PubChem (CID 81404358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).