1-[2-[[3-(2-aminoethanimidoyl)-4-pyridinyl]amino]acetyl]pyrrolidine-2-carboxamide

C14H20N6O2 — CID 123190734

IUPAC1-[2-[[3-(2-aminoethanimidoyl)-4-pyridinyl]amino]acetyl]pyrrolidine-2-carboxamide
SMILES[H]/N=C(\CN)c1cnccc1NCC(=O)N1CCCC1C(N)=O
InChIInChI=1S/C14H20N6O2/c15-6-10(16)9-7-18-4-3-11(9)19-8-13(21)20-5-1-2-12(20)14(17)22/h3-4,7,12,16H,1-2,5-6,8,15H2,(H2,17,22)(H,18,19)/b16-10+
InChIKeySFFPERAGAJDISP-MHWRWJLKSA-N
MW304.35 g/mol
LogP-0.70
Rot. Bonds6

About 1-[2-[[3-(2-aminoethanimidoyl)-4-pyridinyl]amino]acetyl]pyrrolidine-2-carboxamide

1-[2-[[3-(2-aminoethanimidoyl)-4-pyridinyl]amino]acetyl]pyrrolidine-2-carboxamide (PubChem CID 123190734) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[2-[[3-(2-aminoethanimidoyl)-4-pyridinyl]amino]acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[[3-(2-aminoethanimidoyl)-4-pyridinyl]amino]acetyl]pyrrolidine-2-carboxamide
PubChem CID123190734
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name1-[2-[[3-(2-aminoethanimidoyl)-4-pyridinyl]amino]acetyl]pyrrolidine-2-carboxamide
SMILES[H]/N=C(\CN)c1cnccc1NCC(=O)N1CCCC1C(N)=O
InChIInChI=1S/C14H20N6O2/c15-6-10(16)9-7-18-4-3-11(9)19-8-13(21)20-5-1-2-12(20)14(17)22/h3-4,7,12,16H,1-2,5-6,8,15H2,(H2,17,22)(H,18,19)/b16-10+
InChIKeySFFPERAGAJDISP-MHWRWJLKSA-N
XLogP-0.70
TPSA138.19 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-anilinoacetyl)pyrrolidine-2-carboxamide
CID 60860590
1-(2-anilinoacetyl)piperidine-2-carboxamide
CID 54940061
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 175720359
2-[[3-(2-amino-2-oxoethanimidoyl)-4-pyridinyl]amino]acetic acid
CID 90063276
(2S)-1-[2-[4-(trifluoromethyl)anilino]acetyl]pyrrolidine-2-carboxamide
CID 143897244
[4-(ethylamino)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
CID 81234090
1-[2-[[4-(2-amino-2-oxoethanimidoyl)-3-pyridinyl]amino]acetyl]-5-ethylpyrrolidine-2-carboxamide
CID 123174515
ethane;(2S)-1-[2-(4-fluoroanilino)acetyl]pyrrolidine-2-carboxamide;molecular hydrogen
CID 143897546
(2S)-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide
CID 143684092
1-[2-[[4-(2-amino-2-oxoethanimidoyl)-3-pyridinyl]amino]acetyl]-N-(2,2-difluorocyclohexyl)-4-ethylpyrrolidine-2-carboxamide
CID 123421024
3-(2-carbamoylpyrrolidin-1-yl)-3-oxopropanoic acid
CID 62231270
1-[2-[2-(2-amino-2-oxoethanimidoyl)-4-methylanilino]acetyl]-N-(3,3-dimethylcyclohexyl)pyrrolidine-2-carboxamide
CID 123421275

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-(2-aminoethanimidoyl)-4-pyridinyl]amino]acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[[3-(2-aminoethanimidoyl)-4-pyridinyl]amino]acetyl]pyrrolidine-2-carboxamide (CID 123190734) is 1-[2-[[3-(2-aminoethanimidoyl)-4-pyridinyl]amino]acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[[3-(2-aminoethanimidoyl)-4-pyridinyl]amino]acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[[3-(2-aminoethanimidoyl)-4-pyridinyl]amino]acetyl]pyrrolidine-2-carboxamide is [H]/N=C(\CN)c1cnccc1NCC(=O)N1CCCC1C(N)=O.
What is the InChIKey of 1-[2-[[3-(2-aminoethanimidoyl)-4-pyridinyl]amino]acetyl]pyrrolidine-2-carboxamide?
The InChIKey is SFFPERAGAJDISP-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H20N6O2/c15-6-10(16)9-7-18-4-3-11(9)19-8-13(21)20-5-1-2-12(20)14(17)22/h3-4,7,12,16H,1-2,5-6,8,15H2,(H2,17,22)(H,18,19)/b16-10+.
What are the key properties of 1-[2-[[3-(2-aminoethanimidoyl)-4-pyridinyl]amino]acetyl]pyrrolidine-2-carboxamide?
1-[2-[[3-(2-aminoethanimidoyl)-4-pyridinyl]amino]acetyl]pyrrolidine-2-carboxamide has a molecular weight of 304.35 g/mol, XLogP of -0.70, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-(2-aminoethanimidoyl)-4-pyridinyl]amino]acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 123190734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).