N-[2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-methyl-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

C23H28N6O2 — CID 165129757

IUPACN-[2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-methyl-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCc1cnc(N2CC[C@@H](C(C)(C)O)C2)cc1NC(=O)c1cccc(-c2cnn(C)c2)n1
InChIInChI=1S/C23H28N6O2/c1-15-11-24-21(29-9-8-17(14-29)23(2,3)31)10-20(15)27-22(30)19-7-5-6-18(26-19)16-12-25-28(4)13-16/h5-7,10-13,17,31H,8-9,14H2,1-4H3,(H,24,27,30)/t17-/m1/s1
InChIKeyYAYYYFTVSVJBGW-QGZVFWFLSA-N
MW420.52 g/mol
LogP3.04
Rot. Bonds5

About N-[2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-methyl-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

N-[2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-methyl-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 165129757) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is N-[2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-methyl-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-methyl-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
PubChem CID165129757
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC NameN-[2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-methyl-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCc1cnc(N2CC[C@@H](C(C)(C)O)C2)cc1NC(=O)c1cccc(-c2cnn(C)c2)n1
InChIInChI=1S/C23H28N6O2/c1-15-11-24-21(29-9-8-17(14-29)23(2,3)31)10-20(15)27-22(30)19-7-5-6-18(26-19)16-12-25-28(4)13-16/h5-7,10-13,17,31H,8-9,14H2,1-4H3,(H,24,27,30)/t17-/m1/s1
InChIKeyYAYYYFTVSVJBGW-QGZVFWFLSA-N
XLogP3.04
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-methyl-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-methyl-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (CID 165129757) is N-[2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-methyl-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-methyl-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-methyl-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is Cc1cnc(N2CC[C@@H](C(C)(C)O)C2)cc1NC(=O)c1cccc(-c2cnn(C)c2)n1.
What is the InChIKey of N-[2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-methyl-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is YAYYYFTVSVJBGW-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-15-11-24-21(29-9-8-17(14-29)23(2,3)31)10-20(15)27-22(30)19-7-5-6-18(26-19)16-12-25-28(4)13-16/h5-7,10-13,17,31H,8-9,14H2,1-4H3,(H,24,27,30)/t17-/m1/s1.
What are the key properties of N-[2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-methyl-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
N-[2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-methyl-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-methyl-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 165129757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).