4-[(5-amino-2-chloro-4-pyridinyl)carbamoylamino]-N-(3-cyclobutylcyclobutyl)pyridine-2-carboxamide

C20H23ClN6O2 — CID 168979718

IUPAC4-[(5-amino-2-chloro-4-pyridinyl)carbamoylamino]-N-(3-cyclobutylcyclobutyl)pyridine-2-carboxamide
SMILESNc1cnc(Cl)cc1NC(=O)Nc1ccnc(C(=O)NC2CC(C3CCC3)C2)c1
InChIInChI=1S/C20H23ClN6O2/c21-18-9-16(15(22)10-24-18)27-20(29)26-13-4-5-23-17(8-13)19(28)25-14-6-12(7-14)11-2-1-3-11/h4-5,8-12,14H,1-3,6-7,22H2,(H,25,28)(H2,23,24,26,27,29)
InChIKeyZENBLXKMFCIBEE-UHFFFAOYSA-N
MW414.90 g/mol
LogP3.66
Rot. Bonds5

About 4-[(5-amino-2-chloro-4-pyridinyl)carbamoylamino]-N-(3-cyclobutylcyclobutyl)pyridine-2-carboxamide

4-[(5-amino-2-chloro-4-pyridinyl)carbamoylamino]-N-(3-cyclobutylcyclobutyl)pyridine-2-carboxamide (PubChem CID 168979718) has the molecular formula C20H23ClN6O2 and a molecular weight of 414.90 g/mol. Its IUPAC name is 4-[(5-amino-2-chloro-4-pyridinyl)carbamoylamino]-N-(3-cyclobutylcyclobutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(5-amino-2-chloro-4-pyridinyl)carbamoylamino]-N-(3-cyclobutylcyclobutyl)pyridine-2-carboxamide
PubChem CID168979718
Molecular FormulaC20H23ClN6O2
Molecular Weight414.90 g/mol
Exact Mass414.16
IUPAC Name4-[(5-amino-2-chloro-4-pyridinyl)carbamoylamino]-N-(3-cyclobutylcyclobutyl)pyridine-2-carboxamide
SMILESNc1cnc(Cl)cc1NC(=O)Nc1ccnc(C(=O)NC2CC(C3CCC3)C2)c1
InChIInChI=1S/C20H23ClN6O2/c21-18-9-16(15(22)10-24-18)27-20(29)26-13-4-5-23-17(8-13)19(28)25-14-6-12(7-14)11-2-1-3-11/h4-5,8-12,14H,1-3,6-7,22H2,(H,25,28)(H2,23,24,26,27,29)
InChIKeyZENBLXKMFCIBEE-UHFFFAOYSA-N
XLogP3.66
TPSA122.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.90
LogP ≤ 53.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclopentylcyclohexyl)-4-[[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]carbamoylamino]pyridine-2-carboxamide
CID 170006947
1-(2-chloro-4-pyridinyl)-3-cyclobutylurea
CID 14625236
1-(5-amino-2-chloro-4-pyridinyl)-3-[2-(2-phenylethynyl)-4-pyridinyl]urea
CID 168979702
N-cycloheptyl-4-hydrazinylpyridine-2-carboxamide
CID 62241897
4-(4-chloroanilino)-N-cyclopentylpyridine-2-carboxamide
CID 109204096
4-(3-acetamidoanilino)-N-cycloheptylpyridine-2-carboxamide
CID 109217101
4-(4-chloro-2-methylanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109204837
N-(3-cyclopropylcyclohexyl)pyridine-2-carboxamide
CID 171511790
4-chloro-N-(3-methylcyclohexyl)pyridine-2-carboxamide
CID 43244106
N-(3,5-dimethylcyclohexyl)-4-(methylamino)pyridine-2-carboxamide
CID 64733335
4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-cyclohexylpyridine-2-carboxamide
CID 139347813
methyl 4-[(2-chloro-4-pyridinyl)carbamoylamino]pyridine-2-carboxylate
CID 168979744

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-2-chloro-4-pyridinyl)carbamoylamino]-N-(3-cyclobutylcyclobutyl)pyridine-2-carboxamide?
The IUPAC name of 4-[(5-amino-2-chloro-4-pyridinyl)carbamoylamino]-N-(3-cyclobutylcyclobutyl)pyridine-2-carboxamide (CID 168979718) is 4-[(5-amino-2-chloro-4-pyridinyl)carbamoylamino]-N-(3-cyclobutylcyclobutyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[(5-amino-2-chloro-4-pyridinyl)carbamoylamino]-N-(3-cyclobutylcyclobutyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[(5-amino-2-chloro-4-pyridinyl)carbamoylamino]-N-(3-cyclobutylcyclobutyl)pyridine-2-carboxamide is Nc1cnc(Cl)cc1NC(=O)Nc1ccnc(C(=O)NC2CC(C3CCC3)C2)c1.
What is the InChIKey of 4-[(5-amino-2-chloro-4-pyridinyl)carbamoylamino]-N-(3-cyclobutylcyclobutyl)pyridine-2-carboxamide?
The InChIKey is ZENBLXKMFCIBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O2/c21-18-9-16(15(22)10-24-18)27-20(29)26-13-4-5-23-17(8-13)19(28)25-14-6-12(7-14)11-2-1-3-11/h4-5,8-12,14H,1-3,6-7,22H2,(H,25,28)(H2,23,24,26,27,29).
What are the key properties of 4-[(5-amino-2-chloro-4-pyridinyl)carbamoylamino]-N-(3-cyclobutylcyclobutyl)pyridine-2-carboxamide?
4-[(5-amino-2-chloro-4-pyridinyl)carbamoylamino]-N-(3-cyclobutylcyclobutyl)pyridine-2-carboxamide has a molecular weight of 414.90 g/mol, XLogP of 3.66, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-2-chloro-4-pyridinyl)carbamoylamino]-N-(3-cyclobutylcyclobutyl)pyridine-2-carboxamide is sourced from PubChem (CID 168979718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).