N-[(3S)-1-[6-(1H-indazol-4-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide

C21H24N6O2 — CID 146664648

IUPACN-[(3S)-1-[6-(1H-indazol-4-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(NCc3cccc4[nH]ncc34)nc2)C1
InChIInChI=1S/C21H24N6O2/c1-14(28)26(2)17-8-9-27(13-17)21(29)16-6-7-20(23-11-16)22-10-15-4-3-5-19-18(15)12-24-25-19/h3-7,11-12,17H,8-10,13H2,1-2H3,(H,22,23)(H,24,25)/t17-/m0/s1
InChIKeyKDBNCEMILGYAQQ-KRWDZBQOSA-N
MW392.46 g/mol
LogP2.26
Rot. Bonds5

About N-[(3S)-1-[6-(1H-indazol-4-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide

N-[(3S)-1-[6-(1H-indazol-4-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide (PubChem CID 146664648) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[(3S)-1-[6-(1H-indazol-4-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(3S)-1-[6-(1H-indazol-4-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
PubChem CID146664648
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-[(3S)-1-[6-(1H-indazol-4-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(NCc3cccc4[nH]ncc34)nc2)C1
InChIInChI=1S/C21H24N6O2/c1-14(28)26(2)17-8-9-27(13-17)21(29)16-6-7-20(23-11-16)22-10-15-4-3-5-19-18(15)12-24-25-19/h3-7,11-12,17H,8-10,13H2,1-2H3,(H,22,23)(H,24,25)/t17-/m0/s1
InChIKeyKDBNCEMILGYAQQ-KRWDZBQOSA-N
XLogP2.26
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[6-(1H-indazol-4-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of N-[(3S)-1-[6-(1H-indazol-4-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide (CID 146664648) is N-[(3S)-1-[6-(1H-indazol-4-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-[(3S)-1-[6-(1H-indazol-4-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for N-[(3S)-1-[6-(1H-indazol-4-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide is CC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(NCc3cccc4[nH]ncc34)nc2)C1.
What is the InChIKey of N-[(3S)-1-[6-(1H-indazol-4-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is KDBNCEMILGYAQQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-14(28)26(2)17-8-9-27(13-17)21(29)16-6-7-20(23-11-16)22-10-15-4-3-5-19-18(15)12-24-25-19/h3-7,11-12,17H,8-10,13H2,1-2H3,(H,22,23)(H,24,25)/t17-/m0/s1.
What are the key properties of N-[(3S)-1-[6-(1H-indazol-4-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide?
N-[(3S)-1-[6-(1H-indazol-4-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 392.46 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[6-(1H-indazol-4-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 146664648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).