6-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide

C19H21ClN4O2 — CID 71893150

IUPAC6-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NC1CCCN(c2ncccn2)C1)C1COc2ccc(Cl)cc2C1
InChIInChI=1S/C19H21ClN4O2/c20-15-4-5-17-13(10-15)9-14(12-26-17)18(25)23-16-3-1-8-24(11-16)19-21-6-2-7-22-19/h2,4-7,10,14,16H,1,3,8-9,11-12H2,(H,23,25)
InChIKeyIHMAZBFTXPZQSB-UHFFFAOYSA-N
MW372.86 g/mol
LogP2.47
Rot. Bonds3

About 6-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide

6-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 71893150) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 6-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID71893150
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name6-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NC1CCCN(c2ncccn2)C1)C1COc2ccc(Cl)cc2C1
InChIInChI=1S/C19H21ClN4O2/c20-15-4-5-17-13(10-15)9-14(12-26-17)18(25)23-16-3-1-8-24(11-16)19-21-6-2-7-22-19/h2,4-7,10,14,16H,1,3,8-9,11-12H2,(H,23,25)
InChIKeyIHMAZBFTXPZQSB-UHFFFAOYSA-N
XLogP2.47
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide with MolForge

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Related Compounds

(6-chloro-3,4-dihydro-2H-chromen-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 17417053
N-[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)azetidin-3-yl]cyclobutanecarboxamide
CID 126795271
6-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 126767232
N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-4-carboxamide
CID 43712323
(3S)-6-chloro-N-(4-pyrrolidin-1-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 41492257
N'-acetyl-6-chloro-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 47118648
2-(3-chlorophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 42592251
(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829
6-chloro-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 127463379
(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452540
(3S)-6-[(3-chlorobenzoyl)amino]-N-cyclopentyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091482
6-[(3-chlorobenzoyl)amino]-N-cyclopentyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 53123481

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 71893150) is 6-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide is O=C(NC1CCCN(c2ncccn2)C1)C1COc2ccc(Cl)cc2C1.
What is the InChIKey of 6-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is IHMAZBFTXPZQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c20-15-4-5-17-13(10-15)9-14(12-26-17)18(25)23-16-3-1-8-24(11-16)19-21-6-2-7-22-19/h2,4-7,10,14,16H,1,3,8-9,11-12H2,(H,23,25).
What are the key properties of 6-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
6-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 372.86 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 71893150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).