4-(methylamino)-N-[4-(pyridin-2-ylamino)butyl]butanamide;dihydrochloride

C14H26Cl2N4O — CID 119874666

IUPAC4-(methylamino)-N-[4-(pyridin-2-ylamino)butyl]butanamide;dihydrochloride
SMILESCNCCCC(=O)NCCCCNc1ccccn1.Cl.Cl
InChIInChI=1S/C14H24N4O.2ClH/c1-15-9-6-8-14(19)18-12-5-4-11-17-13-7-2-3-10-16-13;;/h2-3,7,10,15H,4-6,8-9,11-12H2,1H3,(H,16,17)(H,18,19);2*1H
InChIKeyBJXRMNULIYCPQP-UHFFFAOYSA-N
MW337.30 g/mol
LogP2.23
Rot. Bonds10

About 4-(methylamino)-N-[4-(pyridin-2-ylamino)butyl]butanamide;dihydrochloride

4-(methylamino)-N-[4-(pyridin-2-ylamino)butyl]butanamide;dihydrochloride (PubChem CID 119874666) has the molecular formula C14H26Cl2N4O and a molecular weight of 337.30 g/mol. Its IUPAC name is 4-(methylamino)-N-[4-(pyridin-2-ylamino)butyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-[4-(pyridin-2-ylamino)butyl]butanamide;dihydrochloride
PubChem CID119874666
Molecular FormulaC14H26Cl2N4O
Molecular Weight337.30 g/mol
Exact Mass336.15
IUPAC Name4-(methylamino)-N-[4-(pyridin-2-ylamino)butyl]butanamide;dihydrochloride
SMILESCNCCCC(=O)NCCCCNc1ccccn1.Cl.Cl
InChIInChI=1S/C14H24N4O.2ClH/c1-15-9-6-8-14(19)18-12-5-4-11-17-13-7-2-3-10-16-13;;/h2-3,7,10,15H,4-6,8-9,11-12H2,1H3,(H,16,17)(H,18,19);2*1H
InChIKeyBJXRMNULIYCPQP-UHFFFAOYSA-N
XLogP2.23
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(pyridin-2-ylamino)pentanoic acid
CID 18518151
N-(2-methoxyethyl)-3-(pyridin-2-ylamino)propanamide
CID 47371043
N,N'-dipyridin-2-ylnonane-1,9-diamine
CID 86213861
2-(4-aminophenyl)-N-[3-(pyridin-2-ylamino)propyl]acetamide;dihydrochloride
CID 119854549
4-(methylamino)-N-[3-(2-methylphenoxy)propyl]butanamide;hydrochloride
CID 119772252
(2S)-2-amino-4-methyl-N-[4-(pyridin-2-ylamino)butyl]pentanamide;dihydrochloride
CID 119874722
1-phenyl-3-[4-(pyridin-2-ylamino)butyl]urea
CID 51108284
N-pyridin-2-yl-6-[(2-sulfanylacetyl)amino]hexanamide
CID 11716112
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(pyridin-2-ylamino)propyl]acetamide;dihydrochloride
CID 119854577
3-amino-2-methyl-3-phenyl-N-[4-(pyridin-2-ylamino)butyl]propanamide;dihydrochloride
CID 119874678
2-amino-2-(4-methylphenyl)-N-[4-(pyridin-2-ylamino)butyl]acetamide;dihydrochloride
CID 120670104
N-(8,9-dihydro-5H-benzo[7]annulen-7-ylmethyl)-4-(pyridin-2-ylamino)butanamide
CID 141039379

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[4-(pyridin-2-ylamino)butyl]butanamide;dihydrochloride?
The IUPAC name of 4-(methylamino)-N-[4-(pyridin-2-ylamino)butyl]butanamide;dihydrochloride (CID 119874666) is 4-(methylamino)-N-[4-(pyridin-2-ylamino)butyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-(methylamino)-N-[4-(pyridin-2-ylamino)butyl]butanamide;dihydrochloride?
The canonical SMILES for 4-(methylamino)-N-[4-(pyridin-2-ylamino)butyl]butanamide;dihydrochloride is CNCCCC(=O)NCCCCNc1ccccn1.Cl.Cl.
What is the InChIKey of 4-(methylamino)-N-[4-(pyridin-2-ylamino)butyl]butanamide;dihydrochloride?
The InChIKey is BJXRMNULIYCPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O.2ClH/c1-15-9-6-8-14(19)18-12-5-4-11-17-13-7-2-3-10-16-13;;/h2-3,7,10,15H,4-6,8-9,11-12H2,1H3,(H,16,17)(H,18,19);2*1H.
What are the key properties of 4-(methylamino)-N-[4-(pyridin-2-ylamino)butyl]butanamide;dihydrochloride?
4-(methylamino)-N-[4-(pyridin-2-ylamino)butyl]butanamide;dihydrochloride has a molecular weight of 337.30 g/mol, XLogP of 2.23, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[4-(pyridin-2-ylamino)butyl]butanamide;dihydrochloride is sourced from PubChem (CID 119874666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).