2-[4-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]-6-[[(1S)-2-oxocyclopentyl]amino]pyrimidine-4-carboxamide

C24H23N5O3 — CID 157312360

IUPAC2-[4-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]-6-[[(1S)-2-oxocyclopentyl]amino]pyrimidine-4-carboxamide
SMILESNC(=O)c1cc(N[C@H]2CCCC2=O)nc(-c2ccc(Oc3ccc(C4CC4)cn3)cc2)n1
InChIInChI=1S/C24H23N5O3/c25-23(31)19-12-21(27-18-2-1-3-20(18)30)29-24(28-19)15-6-9-17(10-7-15)32-22-11-8-16(13-26-22)14-4-5-14/h6-14,18H,1-5H2,(H2,25,31)(H,27,28,29)/t18-/m0/s1
InChIKeyBDENNASLDPTJFB-SFHVURJKSA-N
MW429.48 g/mol
LogP3.84
Rot. Bonds7

About 2-[4-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]-6-[[(1S)-2-oxocyclopentyl]amino]pyrimidine-4-carboxamide

2-[4-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]-6-[[(1S)-2-oxocyclopentyl]amino]pyrimidine-4-carboxamide (PubChem CID 157312360) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-[4-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]-6-[[(1S)-2-oxocyclopentyl]amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]-6-[[(1S)-2-oxocyclopentyl]amino]pyrimidine-4-carboxamide
PubChem CID157312360
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name2-[4-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]-6-[[(1S)-2-oxocyclopentyl]amino]pyrimidine-4-carboxamide
SMILESNC(=O)c1cc(N[C@H]2CCCC2=O)nc(-c2ccc(Oc3ccc(C4CC4)cn3)cc2)n1
InChIInChI=1S/C24H23N5O3/c25-23(31)19-12-21(27-18-2-1-3-20(18)30)29-24(28-19)15-6-9-17(10-7-15)32-22-11-8-16(13-26-22)14-4-5-14/h6-14,18H,1-5H2,(H2,25,31)(H,27,28,29)/t18-/m0/s1
InChIKeyBDENNASLDPTJFB-SFHVURJKSA-N
XLogP3.84
TPSA120.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]-6-[[(1S)-2-oxocyclopentyl]amino]pyrimidine-4-carboxamide?
The IUPAC name of 2-[4-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]-6-[[(1S)-2-oxocyclopentyl]amino]pyrimidine-4-carboxamide (CID 157312360) is 2-[4-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]-6-[[(1S)-2-oxocyclopentyl]amino]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[4-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]-6-[[(1S)-2-oxocyclopentyl]amino]pyrimidine-4-carboxamide?
The canonical SMILES for 2-[4-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]-6-[[(1S)-2-oxocyclopentyl]amino]pyrimidine-4-carboxamide is NC(=O)c1cc(N[C@H]2CCCC2=O)nc(-c2ccc(Oc3ccc(C4CC4)cn3)cc2)n1.
What is the InChIKey of 2-[4-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]-6-[[(1S)-2-oxocyclopentyl]amino]pyrimidine-4-carboxamide?
The InChIKey is BDENNASLDPTJFB-SFHVURJKSA-N. The full InChI is InChI=1S/C24H23N5O3/c25-23(31)19-12-21(27-18-2-1-3-20(18)30)29-24(28-19)15-6-9-17(10-7-15)32-22-11-8-16(13-26-22)14-4-5-14/h6-14,18H,1-5H2,(H2,25,31)(H,27,28,29)/t18-/m0/s1.
What are the key properties of 2-[4-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]-6-[[(1S)-2-oxocyclopentyl]amino]pyrimidine-4-carboxamide?
2-[4-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]-6-[[(1S)-2-oxocyclopentyl]amino]pyrimidine-4-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]-6-[[(1S)-2-oxocyclopentyl]amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 157312360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).