1-[2-[[4-(2-amino-2-oxoethanimidoyl)-3-pyridinyl]amino]acetyl]-5-ethylpyrrolidine-2-carboxamide

C16H22N6O3 — CID 123174515

IUPAC1-[2-[[4-(2-amino-2-oxoethanimidoyl)-3-pyridinyl]amino]acetyl]-5-ethylpyrrolidine-2-carboxamide
SMILES[H]/N=C(\C(N)=O)c1ccncc1NCC(=O)N1C(CC)CCC1C(N)=O
InChIInChI=1S/C16H22N6O3/c1-2-9-3-4-12(15(18)24)22(9)13(23)8-21-11-7-20-6-5-10(11)14(17)16(19)25/h5-7,9,12,17,21H,2-4,8H2,1H3,(H2,18,24)(H2,19,25)/b17-14-
InChIKeyNZYOUWBGTNKMRP-VKAVYKQESA-N
MW346.39 g/mol
LogP-0.40
Rot. Bonds7

About 1-[2-[[4-(2-amino-2-oxoethanimidoyl)-3-pyridinyl]amino]acetyl]-5-ethylpyrrolidine-2-carboxamide

1-[2-[[4-(2-amino-2-oxoethanimidoyl)-3-pyridinyl]amino]acetyl]-5-ethylpyrrolidine-2-carboxamide (PubChem CID 123174515) has the molecular formula C16H22N6O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-[2-[[4-(2-amino-2-oxoethanimidoyl)-3-pyridinyl]amino]acetyl]-5-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[[4-(2-amino-2-oxoethanimidoyl)-3-pyridinyl]amino]acetyl]-5-ethylpyrrolidine-2-carboxamide
PubChem CID123174515
Molecular FormulaC16H22N6O3
Molecular Weight346.39 g/mol
Exact Mass346.18
IUPAC Name1-[2-[[4-(2-amino-2-oxoethanimidoyl)-3-pyridinyl]amino]acetyl]-5-ethylpyrrolidine-2-carboxamide
SMILES[H]/N=C(\C(N)=O)c1ccncc1NCC(=O)N1C(CC)CCC1C(N)=O
InChIInChI=1S/C16H22N6O3/c1-2-9-3-4-12(15(18)24)22(9)13(23)8-21-11-7-20-6-5-10(11)14(17)16(19)25/h5-7,9,12,17,21H,2-4,8H2,1H3,(H2,18,24)(H2,19,25)/b17-14-
InChIKeyNZYOUWBGTNKMRP-VKAVYKQESA-N
XLogP-0.40
TPSA155.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 5-0.40
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-[[4-(2-amino-2-oxoethanimidoyl)-3-pyridinyl]amino]acetyl]-N-(2,2-difluorocyclohexyl)-4-ethylpyrrolidine-2-carboxamide
CID 123421024
2-[[3-(2-amino-2-oxoethanimidoyl)-4-pyridinyl]amino]acetic acid
CID 90063276
2-[3-[[2-[2-[[(2-fluoro-3-methylphenyl)methylamino]methyl]-4-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-4-pyridinyl]-2-iminoacetamide
CID 123165681
2-imino-2-[4-(2-oxoethylamino)-3-pyridinyl]acetamide
CID 130322309
1-[2-[[3-(2-aminoethanimidoyl)-4-pyridinyl]amino]acetyl]pyrrolidine-2-carboxamide
CID 123190734
(2-ethyl-5-methylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
CID 105071029
1-[3-(2-hydroxyethylamino)-4-pyridinyl]-1-iminopropan-2-one
CID 123801734
(2-ethyl-5-methylpyrrolidin-1-yl)-(4-hydrazinyl-3-pyridinyl)methanone
CID 83222083
3-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carboximidamide
CID 83228203
6-methyl-N-[1-(methylideneamino)buta-1,3-dienyl]-3-[2-[[4-(2-oxopropanimidoyl)-3-pyridinyl]amino]acetyl]-3-azabicyclo[3.1.0]hex-5-ene-2-carboxamide
CID 123847590
[3-(ethylamino)-4-pyridinyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 105070176
(3S,5R)-2-[2-[[4-(2-amino-2-oxoethanimidoyl)-6-methyl-3-pyridinyl]amino]acetyl]-N-(6-bromo-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 130322987

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(2-amino-2-oxoethanimidoyl)-3-pyridinyl]amino]acetyl]-5-ethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[[4-(2-amino-2-oxoethanimidoyl)-3-pyridinyl]amino]acetyl]-5-ethylpyrrolidine-2-carboxamide (CID 123174515) is 1-[2-[[4-(2-amino-2-oxoethanimidoyl)-3-pyridinyl]amino]acetyl]-5-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[[4-(2-amino-2-oxoethanimidoyl)-3-pyridinyl]amino]acetyl]-5-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[[4-(2-amino-2-oxoethanimidoyl)-3-pyridinyl]amino]acetyl]-5-ethylpyrrolidine-2-carboxamide is [H]/N=C(\C(N)=O)c1ccncc1NCC(=O)N1C(CC)CCC1C(N)=O.
What is the InChIKey of 1-[2-[[4-(2-amino-2-oxoethanimidoyl)-3-pyridinyl]amino]acetyl]-5-ethylpyrrolidine-2-carboxamide?
The InChIKey is NZYOUWBGTNKMRP-VKAVYKQESA-N. The full InChI is InChI=1S/C16H22N6O3/c1-2-9-3-4-12(15(18)24)22(9)13(23)8-21-11-7-20-6-5-10(11)14(17)16(19)25/h5-7,9,12,17,21H,2-4,8H2,1H3,(H2,18,24)(H2,19,25)/b17-14-.
What are the key properties of 1-[2-[[4-(2-amino-2-oxoethanimidoyl)-3-pyridinyl]amino]acetyl]-5-ethylpyrrolidine-2-carboxamide?
1-[2-[[4-(2-amino-2-oxoethanimidoyl)-3-pyridinyl]amino]acetyl]-5-ethylpyrrolidine-2-carboxamide has a molecular weight of 346.39 g/mol, XLogP of -0.40, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(2-amino-2-oxoethanimidoyl)-3-pyridinyl]amino]acetyl]-5-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 123174515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).