5-[(4-cyano-3-nitro-2-pyridinyl)amino]pentanamide

C11H13N5O3 — CID 106238915

IUPAC5-[(4-cyano-3-nitro-2-pyridinyl)amino]pentanamide
SMILESN#Cc1ccnc(NCCCCC(N)=O)c1[N+](=O)[O-]
InChIInChI=1S/C11H13N5O3/c12-7-8-4-6-15-11(10(8)16(18)19)14-5-2-1-3-9(13)17/h4,6H,1-3,5H2,(H2,13,17)(H,14,15)
InChIKeyVAQABYGAWOEEOS-UHFFFAOYSA-N
MW263.26 g/mol
LogP0.93
Rot. Bonds7

About 5-[(4-cyano-3-nitro-2-pyridinyl)amino]pentanamide

5-[(4-cyano-3-nitro-2-pyridinyl)amino]pentanamide (PubChem CID 106238915) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 5-[(4-cyano-3-nitro-2-pyridinyl)amino]pentanamide.

Molecular Properties

Compound Name5-[(4-cyano-3-nitro-2-pyridinyl)amino]pentanamide
PubChem CID106238915
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name5-[(4-cyano-3-nitro-2-pyridinyl)amino]pentanamide
SMILESN#Cc1ccnc(NCCCCC(N)=O)c1[N+](=O)[O-]
InChIInChI=1S/C11H13N5O3/c12-7-8-4-6-15-11(10(8)16(18)19)14-5-2-1-3-9(13)17/h4,6H,1-3,5H2,(H2,13,17)(H,14,15)
InChIKeyVAQABYGAWOEEOS-UHFFFAOYSA-N
XLogP0.93
TPSA134.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-nitro-2-(pent-4-ynylamino)pyridine-4-carbonitrile
CID 113257427
3-[(4-cyano-3-nitro-2-pyridinyl)amino]-2-hydroxypropanamide
CID 106170893
3-[(4-cyano-3-nitro-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 115697003
2-[(4-cyano-3-nitro-2-pyridinyl)amino]-2-methylpropanamide
CID 82813128
N-[3-[(4-cyano-3-nitro-2-pyridinyl)amino]propyl]methanesulfonamide
CID 103764562
3-nitro-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-4-carbonitrile
CID 115696994
2-(cyclopropylmethylamino)-3-nitropyridine-4-carbonitrile
CID 80718010
2-[(2,2-difluoro-3-hydroxypropyl)amino]-3-nitropyridine-4-carbonitrile
CID 104858403
3-[(4-cyano-3-nitro-2-pyridinyl)amino]-2-methoxypropanoic acid
CID 106108642
3-nitro-2-[2-[(S)-phenylsulfinyl]ethylamino]pyridine-4-carbonitrile
CID 97226162
2-[2-(2-methylphenyl)ethylamino]-3-nitropyridine-4-carbonitrile
CID 80711333
2-[(4-cyano-3-nitro-2-pyridinyl)amino]-N-ethylethanesulfonamide
CID 103764633

Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyano-3-nitro-2-pyridinyl)amino]pentanamide?
The IUPAC name of 5-[(4-cyano-3-nitro-2-pyridinyl)amino]pentanamide (CID 106238915) is 5-[(4-cyano-3-nitro-2-pyridinyl)amino]pentanamide.
What is the SMILES notation for 5-[(4-cyano-3-nitro-2-pyridinyl)amino]pentanamide?
The canonical SMILES for 5-[(4-cyano-3-nitro-2-pyridinyl)amino]pentanamide is N#Cc1ccnc(NCCCCC(N)=O)c1[N+](=O)[O-].
What is the InChIKey of 5-[(4-cyano-3-nitro-2-pyridinyl)amino]pentanamide?
The InChIKey is VAQABYGAWOEEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c12-7-8-4-6-15-11(10(8)16(18)19)14-5-2-1-3-9(13)17/h4,6H,1-3,5H2,(H2,13,17)(H,14,15).
What are the key properties of 5-[(4-cyano-3-nitro-2-pyridinyl)amino]pentanamide?
5-[(4-cyano-3-nitro-2-pyridinyl)amino]pentanamide has a molecular weight of 263.26 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyano-3-nitro-2-pyridinyl)amino]pentanamide is sourced from PubChem (CID 106238915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).