N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide

C14H24IN5O — CID 111055564

IUPACN-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide
SMILESCC(C)CC/N=C(\N)NCCNC(=O)c1cccnc1.I
InChIInChI=1S/C14H23N5O.HI/c1-11(2)5-7-18-14(15)19-9-8-17-13(20)12-4-3-6-16-10-12;/h3-4,6,10-11H,5,7-9H2,1-2H3,(H,17,20)(H3,15,18,19);1H
InChIKeyWEIKBBDBHLJAQM-UHFFFAOYSA-N
MW405.28 g/mol
LogP1.38
Rot. Bonds7

About N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide

N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide (PubChem CID 111055564) has the molecular formula C14H24IN5O and a molecular weight of 405.28 g/mol. Its IUPAC name is N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide
PubChem CID111055564
Molecular FormulaC14H24IN5O
Molecular Weight405.28 g/mol
Exact Mass405.10
IUPAC NameN-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide
SMILESCC(C)CC/N=C(\N)NCCNC(=O)c1cccnc1.I
InChIInChI=1S/C14H23N5O.HI/c1-11(2)5-7-18-14(15)19-9-8-17-13(20)12-4-3-6-16-10-12;/h3-4,6,10-11H,5,7-9H2,1-2H3,(H,17,20)(H3,15,18,19);1H
InChIKeyWEIKBBDBHLJAQM-UHFFFAOYSA-N
XLogP1.38
TPSA92.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.28
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[N'-(2-phenylethyl)carbamimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111055575
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111055623
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481
N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 108924536
N-[2-[[amino-[1-(2,4-dichlorophenyl)ethylamino]methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111055650
1-(3-methylbutyl)-2-(pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111023317
N-[2-[[N'-[(1-ethylpyrrolidin-2-yl)methyl]carbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111055632
N-[2-[(N'-methyl-N-propylcarbamimidoyl)amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111227620
N-[2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]ethyl]pyridine-3-carboxamide
CID 111000715
N-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111055652
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258

Frequently Asked Questions

What is the IUPAC name of N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide?
The IUPAC name of N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide (CID 111055564) is N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide.
What is the SMILES notation for N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide?
The canonical SMILES for N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide is CC(C)CC/N=C(\N)NCCNC(=O)c1cccnc1.I.
What is the InChIKey of N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide?
The InChIKey is WEIKBBDBHLJAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O.HI/c1-11(2)5-7-18-14(15)19-9-8-17-13(20)12-4-3-6-16-10-12;/h3-4,6,10-11H,5,7-9H2,1-2H3,(H,17,20)(H3,15,18,19);1H.
What are the key properties of N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide?
N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide has a molecular weight of 405.28 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide is sourced from PubChem (CID 111055564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).