N-[2-(1,1-difluoropropyl)-3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide

C26H30F2N6O2 — CID 142728871

IUPACN-[2-(1,1-difluoropropyl)-3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide
SMILESCCNc1nc(-c2c(C)ccc(NC(=O)c3ccncc3)c2C(F)(F)CC)cc(N2CCOCC2)n1
InChIInChI=1S/C26H30F2N6O2/c1-4-26(27,28)23-19(31-24(35)18-8-10-29-11-9-18)7-6-17(3)22(23)20-16-21(33-25(32-20)30-5-2)34-12-14-36-15-13-34/h6-11,16H,4-5,12-15H2,1-3H3,(H,31,35)(H,30,32,33)
InChIKeyMLQHOCVRPZVWOY-UHFFFAOYSA-N
MW496.56 g/mol
LogP4.87
Rot. Bonds8

About N-[2-(1,1-difluoropropyl)-3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide

N-[2-(1,1-difluoropropyl)-3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide (PubChem CID 142728871) has the molecular formula C26H30F2N6O2 and a molecular weight of 496.56 g/mol. Its IUPAC name is N-[2-(1,1-difluoropropyl)-3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1,1-difluoropropyl)-3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide
PubChem CID142728871
Molecular FormulaC26H30F2N6O2
Molecular Weight496.56 g/mol
Exact Mass496.24
IUPAC NameN-[2-(1,1-difluoropropyl)-3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide
SMILESCCNc1nc(-c2c(C)ccc(NC(=O)c3ccncc3)c2C(F)(F)CC)cc(N2CCOCC2)n1
InChIInChI=1S/C26H30F2N6O2/c1-4-26(27,28)23-19(31-24(35)18-8-10-29-11-9-18)7-6-17(3)22(23)20-16-21(33-25(32-20)30-5-2)34-12-14-36-15-13-34/h6-11,16H,4-5,12-15H2,1-3H3,(H,31,35)(H,30,32,33)
InChIKeyMLQHOCVRPZVWOY-UHFFFAOYSA-N
XLogP4.87
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.56
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide
CID 90461015
2-(2-cyanopropan-2-yl)-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 90463027
N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide
CID 90456869
N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 90456804
2-(2-cyanopropan-2-yl)-N-[3-[2-[[(2S)-2-hydroxypropyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 90462501
[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 122351016
4-methyl-6-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112912080
N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;ethane
CID 163255645
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 121075218
4-(dimethylamino)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 122295171
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
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CID 58919756

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-difluoropropyl)-3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(1,1-difluoropropyl)-3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide (CID 142728871) is N-[2-(1,1-difluoropropyl)-3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(1,1-difluoropropyl)-3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(1,1-difluoropropyl)-3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide is CCNc1nc(-c2c(C)ccc(NC(=O)c3ccncc3)c2C(F)(F)CC)cc(N2CCOCC2)n1.
What is the InChIKey of N-[2-(1,1-difluoropropyl)-3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide?
The InChIKey is MLQHOCVRPZVWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N6O2/c1-4-26(27,28)23-19(31-24(35)18-8-10-29-11-9-18)7-6-17(3)22(23)20-16-21(33-25(32-20)30-5-2)34-12-14-36-15-13-34/h6-11,16H,4-5,12-15H2,1-3H3,(H,31,35)(H,30,32,33).
What are the key properties of N-[2-(1,1-difluoropropyl)-3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide?
N-[2-(1,1-difluoropropyl)-3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide has a molecular weight of 496.56 g/mol, XLogP of 4.87, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-difluoropropyl)-3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 142728871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).