3-azido-2-(4-methylanilino)propanamide

C10H13N5O — CID 66429219

IUPAC3-azido-2-(4-methylanilino)propanamide
SMILESCc1ccc(NC(CN=[N+]=[N-])C(N)=O)cc1
InChIInChI=1S/C10H13N5O/c1-7-2-4-8(5-3-7)14-9(10(11)16)6-13-15-12/h2-5,9,14H,6H2,1H3,(H2,11,16)
InChIKeyPNIORDNFLQDVOG-UHFFFAOYSA-N
MW219.25 g/mol
LogP1.57
Rot. Bonds5

About 3-azido-2-(4-methylanilino)propanamide

3-azido-2-(4-methylanilino)propanamide (PubChem CID 66429219) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 3-azido-2-(4-methylanilino)propanamide.

Molecular Properties

Compound Name3-azido-2-(4-methylanilino)propanamide
PubChem CID66429219
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name3-azido-2-(4-methylanilino)propanamide
SMILESCc1ccc(NC(CN=[N+]=[N-])C(N)=O)cc1
InChIInChI=1S/C10H13N5O/c1-7-2-4-8(5-3-7)14-9(10(11)16)6-13-15-12/h2-5,9,14H,6H2,1H3,(H2,11,16)
InChIKeyPNIORDNFLQDVOG-UHFFFAOYSA-N
XLogP1.57
TPSA103.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-azido-2-(4-bromoanilino)propanamide
CID 66426453
2-(4-methylanilino)butanediamide
CID 66427556
methyl 3-azido-2-(4-fluoroanilino)propanoate
CID 66426879
ethyl 3-azido-2-(3-fluoro-5-methylanilino)propanoate
CID 79049579
2-(4-methylanilino)butanehydrazide
CID 25219138
2-(4-iodoanilino)butanamide
CID 62900403
ethyl (2S)-3-hydroxy-2-(4-methylanilino)propanoate
CID 167650197
2-(methylamino)-3-(4-methylphenyl)propanamide
CID 59568547
2-(4-methoxyanilino)butanamide
CID 61005469
2-[4-(dimethylamino)anilino]butanamide
CID 62900216
methyl (2S)-2-(4-methylanilino)propanoate
CID 6940435
3-azido-2-[2-(diethylamino)ethylamino]propanamide
CID 66429641

Frequently Asked Questions

What is the IUPAC name of 3-azido-2-(4-methylanilino)propanamide?
The IUPAC name of 3-azido-2-(4-methylanilino)propanamide (CID 66429219) is 3-azido-2-(4-methylanilino)propanamide.
What is the SMILES notation for 3-azido-2-(4-methylanilino)propanamide?
The canonical SMILES for 3-azido-2-(4-methylanilino)propanamide is Cc1ccc(NC(CN=[N+]=[N-])C(N)=O)cc1.
What is the InChIKey of 3-azido-2-(4-methylanilino)propanamide?
The InChIKey is PNIORDNFLQDVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-7-2-4-8(5-3-7)14-9(10(11)16)6-13-15-12/h2-5,9,14H,6H2,1H3,(H2,11,16).
What are the key properties of 3-azido-2-(4-methylanilino)propanamide?
3-azido-2-(4-methylanilino)propanamide has a molecular weight of 219.25 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-2-(4-methylanilino)propanamide is sourced from PubChem (CID 66429219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).