2-chloro-N-[3-[2-(1-hydroxypropan-2-ylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrimidine-5-carboxamide

C24H27ClN6O3 — CID 177153017

IUPAC2-chloro-N-[3-[2-(1-hydroxypropan-2-ylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(Cl)nc2)cc1-c1cc(NC(C)CO)nc(N2CCOCC2)c1
InChIInChI=1S/C24H27ClN6O3/c1-15-3-4-19(29-23(33)18-12-26-24(25)27-13-18)11-20(15)17-9-21(28-16(2)14-32)30-22(10-17)31-5-7-34-8-6-31/h3-4,9-13,16,32H,5-8,14H2,1-2H3,(H,28,30)(H,29,33)
InChIKeyLOMBHTXNWDNAFO-UHFFFAOYSA-N
MW482.97 g/mol
LogP3.38
Rot. Bonds7

About 2-chloro-N-[3-[2-(1-hydroxypropan-2-ylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrimidine-5-carboxamide

2-chloro-N-[3-[2-(1-hydroxypropan-2-ylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrimidine-5-carboxamide (PubChem CID 177153017) has the molecular formula C24H27ClN6O3 and a molecular weight of 482.97 g/mol. Its IUPAC name is 2-chloro-N-[3-[2-(1-hydroxypropan-2-ylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[3-[2-(1-hydroxypropan-2-ylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrimidine-5-carboxamide
PubChem CID177153017
Molecular FormulaC24H27ClN6O3
Molecular Weight482.97 g/mol
Exact Mass482.18
IUPAC Name2-chloro-N-[3-[2-(1-hydroxypropan-2-ylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(Cl)nc2)cc1-c1cc(NC(C)CO)nc(N2CCOCC2)c1
InChIInChI=1S/C24H27ClN6O3/c1-15-3-4-19(29-23(33)18-12-26-24(25)27-13-18)11-20(15)17-9-21(28-16(2)14-32)30-22(10-17)31-5-7-34-8-6-31/h3-4,9-13,16,32H,5-8,14H2,1-2H3,(H,28,30)(H,29,33)
InChIKeyLOMBHTXNWDNAFO-UHFFFAOYSA-N
XLogP3.38
TPSA112.50 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.97
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[4-[2-methyl-5-[(E)-prop-1-enyl]phenyl]-6-morpholin-4-yl-2-pyridinyl]amino]propan-1-ol
CID 177153114
N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;ethane
CID 163255645
N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CID 176803148
5-chloro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-3-carboxamide
CID 176803137
formamide;2-[[4-[2-methyl-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]-6-morpholin-4-yl-2-pyridinyl]amino]propan-1-ol
CID 177153092
2-cyclopropyl-N-[4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)phenyl]pyridine-4-carboxamide
CID 134380057
6-cyclopropyl-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide
CID 90460796
N-[4-methyl-3-[2-morpholin-4-yl-6-[(3S)-4,4,4-trifluoro-3-hydroxybut-1-ynyl]-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;sulfane
CID 165107587
N-[3-[2-[[(2S)-2,3-dihydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 162468113
N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17424831
N-[3-[2-(2-hydroxypropylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 166758628
(Z,2E)-2-ethylidene-5,5-difluoro-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-4-(methylideneamino)hex-3-enamide
CID 138714222

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[2-(1-hydroxypropan-2-ylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-chloro-N-[3-[2-(1-hydroxypropan-2-ylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrimidine-5-carboxamide (CID 177153017) is 2-chloro-N-[3-[2-(1-hydroxypropan-2-ylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-chloro-N-[3-[2-(1-hydroxypropan-2-ylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-chloro-N-[3-[2-(1-hydroxypropan-2-ylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrimidine-5-carboxamide is Cc1ccc(NC(=O)c2cnc(Cl)nc2)cc1-c1cc(NC(C)CO)nc(N2CCOCC2)c1.
What is the InChIKey of 2-chloro-N-[3-[2-(1-hydroxypropan-2-ylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrimidine-5-carboxamide?
The InChIKey is LOMBHTXNWDNAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN6O3/c1-15-3-4-19(29-23(33)18-12-26-24(25)27-13-18)11-20(15)17-9-21(28-16(2)14-32)30-22(10-17)31-5-7-34-8-6-31/h3-4,9-13,16,32H,5-8,14H2,1-2H3,(H,28,30)(H,29,33).
What are the key properties of 2-chloro-N-[3-[2-(1-hydroxypropan-2-ylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrimidine-5-carboxamide?
2-chloro-N-[3-[2-(1-hydroxypropan-2-ylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrimidine-5-carboxamide has a molecular weight of 482.97 g/mol, XLogP of 3.38, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[2-(1-hydroxypropan-2-ylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 177153017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).