N-(2-hydroxyethyl)-5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridine-2-carboxamide

C23H25N5O4 — CID 90182132

IUPACN-(2-hydroxyethyl)-5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridine-2-carboxamide
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(C(=O)NCCO)nc2)nc1
InChIInChI=1S/C23H25N5O4/c1-14-25-12-19(15-3-5-21(26-10-15)22(30)24-7-8-29)23(28-14)32-13-16-9-18(16)20-6-4-17(31-2)11-27-20/h3-6,10-12,16,18,29H,7-9,13H2,1-2H3,(H,24,30)/t16-,18+/m1/s1
InChIKeyKHLOSLMIOFHDQM-AEFFLSMTSA-N
MW435.48 g/mol
LogP2.16
Rot. Bonds9

About N-(2-hydroxyethyl)-5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridine-2-carboxamide

N-(2-hydroxyethyl)-5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridine-2-carboxamide (PubChem CID 90182132) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridine-2-carboxamide
PubChem CID90182132
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC NameN-(2-hydroxyethyl)-5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridine-2-carboxamide
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(C(=O)NCCO)nc2)nc1
InChIInChI=1S/C23H25N5O4/c1-14-25-12-19(15-3-5-21(26-10-15)22(30)24-7-8-29)23(28-14)32-13-16-9-18(16)20-6-4-17(31-2)11-27-20/h3-6,10-12,16,18,29H,7-9,13H2,1-2H3,(H,24,30)/t16-,18+/m1/s1
InChIKeyKHLOSLMIOFHDQM-AEFFLSMTSA-N
XLogP2.16
TPSA119.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridine-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridine-2-carboxamide (CID 90182132) is N-(2-hydroxyethyl)-5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridine-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridine-2-carboxamide is COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(C(=O)NCCO)nc2)nc1.
What is the InChIKey of N-(2-hydroxyethyl)-5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridine-2-carboxamide?
The InChIKey is KHLOSLMIOFHDQM-AEFFLSMTSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-14-25-12-19(15-3-5-21(26-10-15)22(30)24-7-8-29)23(28-14)32-13-16-9-18(16)20-6-4-17(31-2)11-27-20/h3-6,10-12,16,18,29H,7-9,13H2,1-2H3,(H,24,30)/t16-,18+/m1/s1.
What are the key properties of N-(2-hydroxyethyl)-5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridine-2-carboxamide?
N-(2-hydroxyethyl)-5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridine-2-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 2.16, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 90182132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).