N,N,2-trimethyl-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide

C20H27N5O2 — CID 121279569

IUPACN,N,2-trimethyl-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)C)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1
InChIInChI=1S/C20H27N5O2/c1-12(2)16-10-18(23-22-16)20(27)25-7-6-14(11-25)17-9-15(8-13(3)21-17)19(26)24(4)5/h8-10,12,14H,6-7,11H2,1-5H3,(H,22,23)
InChIKeyYAVZAMCCDJRPBX-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.57
Rot. Bonds4

About N,N,2-trimethyl-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide

N,N,2-trimethyl-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide (PubChem CID 121279569) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N,N,2-trimethyl-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN,N,2-trimethyl-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide
PubChem CID121279569
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN,N,2-trimethyl-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)C)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1
InChIInChI=1S/C20H27N5O2/c1-12(2)16-10-18(23-22-16)20(27)25-7-6-14(11-25)17-9-15(8-13(3)21-17)19(26)24(4)5/h8-10,12,14H,6-7,11H2,1-5H3,(H,22,23)
InChIKeyYAVZAMCCDJRPBX-UHFFFAOYSA-N
XLogP2.57
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide?
The IUPAC name of N,N,2-trimethyl-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide (CID 121279569) is N,N,2-trimethyl-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N,N,2-trimethyl-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N,N,2-trimethyl-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide is Cc1cc(C(=O)N(C)C)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1.
What is the InChIKey of N,N,2-trimethyl-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide?
The InChIKey is YAVZAMCCDJRPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-12(2)16-10-18(23-22-16)20(27)25-7-6-14(11-25)17-9-15(8-13(3)21-17)19(26)24(4)5/h8-10,12,14H,6-7,11H2,1-5H3,(H,22,23).
What are the key properties of N,N,2-trimethyl-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide?
N,N,2-trimethyl-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 121279569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).