4-[4-[1-[(5-chloropyrimidin-2-yl)carbamoyl]cyclobutyl]phenyl]-N-methylpyridine-2-carboxamide

C22H20ClN5O2 — CID 138562428

IUPAC4-[4-[1-[(5-chloropyrimidin-2-yl)carbamoyl]cyclobutyl]phenyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(C3(C(=O)Nc4ncc(Cl)cn4)CCC3)cc2)ccn1
InChIInChI=1S/C22H20ClN5O2/c1-24-19(29)18-11-15(7-10-25-18)14-3-5-16(6-4-14)22(8-2-9-22)20(30)28-21-26-12-17(23)13-27-21/h3-7,10-13H,2,8-9H2,1H3,(H,24,29)(H,26,27,28,30)
InChIKeyLWYXBFYLULOKMH-UHFFFAOYSA-N
MW421.89 g/mol
LogP3.61
Rot. Bonds5

About 4-[4-[1-[(5-chloropyrimidin-2-yl)carbamoyl]cyclobutyl]phenyl]-N-methylpyridine-2-carboxamide

4-[4-[1-[(5-chloropyrimidin-2-yl)carbamoyl]cyclobutyl]phenyl]-N-methylpyridine-2-carboxamide (PubChem CID 138562428) has the molecular formula C22H20ClN5O2 and a molecular weight of 421.89 g/mol. Its IUPAC name is 4-[4-[1-[(5-chloropyrimidin-2-yl)carbamoyl]cyclobutyl]phenyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[1-[(5-chloropyrimidin-2-yl)carbamoyl]cyclobutyl]phenyl]-N-methylpyridine-2-carboxamide
PubChem CID138562428
Molecular FormulaC22H20ClN5O2
Molecular Weight421.89 g/mol
Exact Mass421.13
IUPAC Name4-[4-[1-[(5-chloropyrimidin-2-yl)carbamoyl]cyclobutyl]phenyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(C3(C(=O)Nc4ncc(Cl)cn4)CCC3)cc2)ccn1
InChIInChI=1S/C22H20ClN5O2/c1-24-19(29)18-11-15(7-10-25-18)14-3-5-16(6-4-14)22(8-2-9-22)20(30)28-21-26-12-17(23)13-27-21/h3-7,10-13H,2,8-9H2,1H3,(H,24,29)(H,26,27,28,30)
InChIKeyLWYXBFYLULOKMH-UHFFFAOYSA-N
XLogP3.61
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.89
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-[4-[1-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclobutyl]phenyl]pyridine-2-carboxamide
CID 138562370
1-(3,4-dichlorophenyl)-N-pyrimidin-2-ylcyclobutane-1-carboxamide
CID 122146724
4-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide
CID 141417735
N-[2-(methylamino)-4-pyridinyl]-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide
CID 71127043
4-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide
CID 122180068
N-(3-chloro-4-fluorophenyl)-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide
CID 53110613
3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N-methylbenzamide
CID 43000556
1-(4-chlorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide
CID 2521715
1-(4-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)cyclopentane-1-carboxamide
CID 122301531
4-[4-[1-[(2,4-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 10412466
6-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-3-carboxamide
CID 67987851
N-(4-methyl-2-pyridinyl)-1-phenylcyclobutane-1-carboxamide
CID 110439493

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[(5-chloropyrimidin-2-yl)carbamoyl]cyclobutyl]phenyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[1-[(5-chloropyrimidin-2-yl)carbamoyl]cyclobutyl]phenyl]-N-methylpyridine-2-carboxamide (CID 138562428) is 4-[4-[1-[(5-chloropyrimidin-2-yl)carbamoyl]cyclobutyl]phenyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[1-[(5-chloropyrimidin-2-yl)carbamoyl]cyclobutyl]phenyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[1-[(5-chloropyrimidin-2-yl)carbamoyl]cyclobutyl]phenyl]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(-c2ccc(C3(C(=O)Nc4ncc(Cl)cn4)CCC3)cc2)ccn1.
What is the InChIKey of 4-[4-[1-[(5-chloropyrimidin-2-yl)carbamoyl]cyclobutyl]phenyl]-N-methylpyridine-2-carboxamide?
The InChIKey is LWYXBFYLULOKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O2/c1-24-19(29)18-11-15(7-10-25-18)14-3-5-16(6-4-14)22(8-2-9-22)20(30)28-21-26-12-17(23)13-27-21/h3-7,10-13H,2,8-9H2,1H3,(H,24,29)(H,26,27,28,30).
What are the key properties of 4-[4-[1-[(5-chloropyrimidin-2-yl)carbamoyl]cyclobutyl]phenyl]-N-methylpyridine-2-carboxamide?
4-[4-[1-[(5-chloropyrimidin-2-yl)carbamoyl]cyclobutyl]phenyl]-N-methylpyridine-2-carboxamide has a molecular weight of 421.89 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[(5-chloropyrimidin-2-yl)carbamoyl]cyclobutyl]phenyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 138562428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).