N-hydroxy-N-[(2S)-2-[(pyridin-2-ylamino)carbamoyl]heptyl]formamide

C14H22N4O3 — CID 23351789

IUPACN-hydroxy-N-[(2S)-2-[(pyridin-2-ylamino)carbamoyl]heptyl]formamide
SMILESCCCCC[C@@H](CN(O)C=O)C(=O)NNc1ccccn1
InChIInChI=1S/C14H22N4O3/c1-2-3-4-7-12(10-18(21)11-19)14(20)17-16-13-8-5-6-9-15-13/h5-6,8-9,11-12,21H,2-4,7,10H2,1H3,(H,15,16)(H,17,20)/t12-/m0/s1
InChIKeyOVCZJZNDTLDKAN-LBPRGKRZSA-N
MW294.35 g/mol
LogP1.57
Rot. Bonds10

About N-hydroxy-N-[(2S)-2-[(pyridin-2-ylamino)carbamoyl]heptyl]formamide

N-hydroxy-N-[(2S)-2-[(pyridin-2-ylamino)carbamoyl]heptyl]formamide (PubChem CID 23351789) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-hydroxy-N-[(2S)-2-[(pyridin-2-ylamino)carbamoyl]heptyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[(2S)-2-[(pyridin-2-ylamino)carbamoyl]heptyl]formamide
PubChem CID23351789
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC NameN-hydroxy-N-[(2S)-2-[(pyridin-2-ylamino)carbamoyl]heptyl]formamide
SMILESCCCCC[C@@H](CN(O)C=O)C(=O)NNc1ccccn1
InChIInChI=1S/C14H22N4O3/c1-2-3-4-7-12(10-18(21)11-19)14(20)17-16-13-8-5-6-9-15-13/h5-6,8-9,11-12,21H,2-4,7,10H2,1H3,(H,15,16)(H,17,20)/t12-/m0/s1
InChIKeyOVCZJZNDTLDKAN-LBPRGKRZSA-N
XLogP1.57
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[(2S)-2-[(pyridin-2-ylamino)carbamoyl]heptyl]formamide?
The IUPAC name of N-hydroxy-N-[(2S)-2-[(pyridin-2-ylamino)carbamoyl]heptyl]formamide (CID 23351789) is N-hydroxy-N-[(2S)-2-[(pyridin-2-ylamino)carbamoyl]heptyl]formamide.
What is the SMILES notation for N-hydroxy-N-[(2S)-2-[(pyridin-2-ylamino)carbamoyl]heptyl]formamide?
The canonical SMILES for N-hydroxy-N-[(2S)-2-[(pyridin-2-ylamino)carbamoyl]heptyl]formamide is CCCCC[C@@H](CN(O)C=O)C(=O)NNc1ccccn1.
What is the InChIKey of N-hydroxy-N-[(2S)-2-[(pyridin-2-ylamino)carbamoyl]heptyl]formamide?
The InChIKey is OVCZJZNDTLDKAN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-2-3-4-7-12(10-18(21)11-19)14(20)17-16-13-8-5-6-9-15-13/h5-6,8-9,11-12,21H,2-4,7,10H2,1H3,(H,15,16)(H,17,20)/t12-/m0/s1.
What are the key properties of N-hydroxy-N-[(2S)-2-[(pyridin-2-ylamino)carbamoyl]heptyl]formamide?
N-hydroxy-N-[(2S)-2-[(pyridin-2-ylamino)carbamoyl]heptyl]formamide has a molecular weight of 294.35 g/mol, XLogP of 1.57, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[(2S)-2-[(pyridin-2-ylamino)carbamoyl]heptyl]formamide is sourced from PubChem (CID 23351789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).