(2S)-1-[2-[2-(pyridin-2-ylamino)ethylamino]acetyl]pyrrolidine-2-carbonitrile

C14H19N5O — CID 10912691

IUPAC(2S)-1-[2-[2-(pyridin-2-ylamino)ethylamino]acetyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)CNCCNc1ccccn1
InChIInChI=1S/C14H19N5O/c15-10-12-4-3-9-19(12)14(20)11-16-7-8-18-13-5-1-2-6-17-13/h1-2,5-6,12,16H,3-4,7-9,11H2,(H,17,18)/t12-/m0/s1
InChIKeySTWTYQOXUTUWAW-LBPRGKRZSA-N
MW273.34 g/mol
LogP0.60
Rot. Bonds6

About (2S)-1-[2-[2-(pyridin-2-ylamino)ethylamino]acetyl]pyrrolidine-2-carbonitrile

(2S)-1-[2-[2-(pyridin-2-ylamino)ethylamino]acetyl]pyrrolidine-2-carbonitrile (PubChem CID 10912691) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is (2S)-1-[2-[2-(pyridin-2-ylamino)ethylamino]acetyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-1-[2-[2-(pyridin-2-ylamino)ethylamino]acetyl]pyrrolidine-2-carbonitrile
PubChem CID10912691
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name(2S)-1-[2-[2-(pyridin-2-ylamino)ethylamino]acetyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)CNCCNc1ccccn1
InChIInChI=1S/C14H19N5O/c15-10-12-4-3-9-19(12)14(20)11-16-7-8-18-13-5-1-2-6-17-13/h1-2,5-6,12,16H,3-4,7-9,11H2,(H,17,18)/t12-/m0/s1
InChIKeySTWTYQOXUTUWAW-LBPRGKRZSA-N
XLogP0.60
TPSA81.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 26216
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2-Acetamidopyridine
CID 72929
N,N'-Bis(2-pyridyl)oxalamide
CID 1927420
N-Cyclohexyl-N'-2-pyridinylurea
CID 99760
N-(pyridin-2-yl)prop-2-enamide
CID 9920419
6-(2-(2-(5-Cyano-4,5-dihydropyrazol-1-yl)-2-oxoethylamino)ethylamino)nicotinonitrile
CID 11403745
4-(2-Pyridyl)piperazine-1-carboxamide
CID 22418783
6-((3S,5S)-5-((S)-2-cyanopyrrolidine-1-carbonyl)pyrrolidin-3-ylamino)nicotinonitrile
CID 44400445
N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 4595252
N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4780744
2-cyano-N-(pyridin-2-yl)acetamide
CID 706187

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[2-(pyridin-2-ylamino)ethylamino]acetyl]pyrrolidine-2-carbonitrile?
The IUPAC name of (2S)-1-[2-[2-(pyridin-2-ylamino)ethylamino]acetyl]pyrrolidine-2-carbonitrile (CID 10912691) is (2S)-1-[2-[2-(pyridin-2-ylamino)ethylamino]acetyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S)-1-[2-[2-(pyridin-2-ylamino)ethylamino]acetyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for (2S)-1-[2-[2-(pyridin-2-ylamino)ethylamino]acetyl]pyrrolidine-2-carbonitrile is N#C[C@@H]1CCCN1C(=O)CNCCNc1ccccn1.
What is the InChIKey of (2S)-1-[2-[2-(pyridin-2-ylamino)ethylamino]acetyl]pyrrolidine-2-carbonitrile?
The InChIKey is STWTYQOXUTUWAW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N5O/c15-10-12-4-3-9-19(12)14(20)11-16-7-8-18-13-5-1-2-6-17-13/h1-2,5-6,12,16H,3-4,7-9,11H2,(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-1-[2-[2-(pyridin-2-ylamino)ethylamino]acetyl]pyrrolidine-2-carbonitrile?
(2S)-1-[2-[2-(pyridin-2-ylamino)ethylamino]acetyl]pyrrolidine-2-carbonitrile has a molecular weight of 273.34 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[2-(pyridin-2-ylamino)ethylamino]acetyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 10912691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).