N-[3-(4-bromoanilino)-3-oxopropyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide

C19H22BrN5O2 — CID 55979213

IUPACN-[3-(4-bromoanilino)-3-oxopropyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESO=C(CCNC(=O)C1CCN(c2ncccn2)CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C19H22BrN5O2/c20-15-2-4-16(5-3-15)24-17(26)6-11-21-18(27)14-7-12-25(13-8-14)19-22-9-1-10-23-19/h1-5,9-10,14H,6-8,11-13H2,(H,21,27)(H,24,26)
InChIKeyYSANPOUBFXAQAE-UHFFFAOYSA-N
MW432.32 g/mol
LogP2.60
Rot. Bonds6

About N-[3-(4-bromoanilino)-3-oxopropyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide

N-[3-(4-bromoanilino)-3-oxopropyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 55979213) has the molecular formula C19H22BrN5O2 and a molecular weight of 432.32 g/mol. Its IUPAC name is N-[3-(4-bromoanilino)-3-oxopropyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-bromoanilino)-3-oxopropyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID55979213
Molecular FormulaC19H22BrN5O2
Molecular Weight432.32 g/mol
Exact Mass431.10
IUPAC NameN-[3-(4-bromoanilino)-3-oxopropyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESO=C(CCNC(=O)C1CCN(c2ncccn2)CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C19H22BrN5O2/c20-15-2-4-16(5-3-15)24-17(26)6-11-21-18(27)14-7-12-25(13-8-14)19-22-9-1-10-23-19/h1-5,9-10,14H,6-8,11-13H2,(H,21,27)(H,24,26)
InChIKeyYSANPOUBFXAQAE-UHFFFAOYSA-N
XLogP2.60
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.32
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxamide;hydrochloride
CID 119297988
N-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3224206
N-(4-bromophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6468098
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442082
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 55758856
N-(4-ethylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223112
N-[3-(4-bromoanilino)-3-oxopropyl]-4-(cyclopropanecarbonylamino)benzamide
CID 52718973
N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442114
N-(3-methoxypropyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 651470
N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223122
ethyl N-[4-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 171678844
N'-butanoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide
CID 23544069

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromoanilino)-3-oxopropyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(4-bromoanilino)-3-oxopropyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 55979213) is N-[3-(4-bromoanilino)-3-oxopropyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(4-bromoanilino)-3-oxopropyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(4-bromoanilino)-3-oxopropyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide is O=C(CCNC(=O)C1CCN(c2ncccn2)CC1)Nc1ccc(Br)cc1.
What is the InChIKey of N-[3-(4-bromoanilino)-3-oxopropyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is YSANPOUBFXAQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN5O2/c20-15-2-4-16(5-3-15)24-17(26)6-11-21-18(27)14-7-12-25(13-8-14)19-22-9-1-10-23-19/h1-5,9-10,14H,6-8,11-13H2,(H,21,27)(H,24,26).
What are the key properties of N-[3-(4-bromoanilino)-3-oxopropyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
N-[3-(4-bromoanilino)-3-oxopropyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 432.32 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromoanilino)-3-oxopropyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 55979213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).