2-amino-N-[(3S,4S)-1-ethyl-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

C26H34N6O2 — CID 126644210

IUPAC2-amino-N-[(3S,4S)-1-ethyl-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCCc1cc(CO[C@H]2CN(CC)C[C@@H]2NC(=O)c2cc(-c3cnn(C)c3)cnc2N)ccc1C
InChIInChI=1S/C26H34N6O2/c1-5-19-9-18(8-7-17(19)3)16-34-24-15-32(6-2)14-23(24)30-26(33)22-10-20(11-28-25(22)27)21-12-29-31(4)13-21/h7-13,23-24H,5-6,14-16H2,1-4H3,(H2,27,28)(H,30,33)/t23-,24-/m0/s1
InChIKeyZLBJRZPDABNGGW-ZEQRLZLVSA-N
MW462.60 g/mol
LogP2.95
Rot. Bonds8

About 2-amino-N-[(3S,4S)-1-ethyl-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

2-amino-N-[(3S,4S)-1-ethyl-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 126644210) has the molecular formula C26H34N6O2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 2-amino-N-[(3S,4S)-1-ethyl-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3S,4S)-1-ethyl-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
PubChem CID126644210
Molecular FormulaC26H34N6O2
Molecular Weight462.60 g/mol
Exact Mass462.27
IUPAC Name2-amino-N-[(3S,4S)-1-ethyl-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCCc1cc(CO[C@H]2CN(CC)C[C@@H]2NC(=O)c2cc(-c3cnn(C)c3)cnc2N)ccc1C
InChIInChI=1S/C26H34N6O2/c1-5-19-9-18(8-7-17(19)3)16-34-24-15-32(6-2)14-23(24)30-26(33)22-10-20(11-28-25(22)27)21-12-29-31(4)13-21/h7-13,23-24H,5-6,14-16H2,1-4H3,(H2,27,28)(H,30,33)/t23-,24-/m0/s1
InChIKeyZLBJRZPDABNGGW-ZEQRLZLVSA-N
XLogP2.95
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3S,4S)-1-ethyl-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[(3S,4S)-1-ethyl-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (CID 126644210) is 2-amino-N-[(3S,4S)-1-ethyl-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(3S,4S)-1-ethyl-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(3S,4S)-1-ethyl-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is CCc1cc(CO[C@H]2CN(CC)C[C@@H]2NC(=O)c2cc(-c3cnn(C)c3)cnc2N)ccc1C.
What is the InChIKey of 2-amino-N-[(3S,4S)-1-ethyl-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The InChIKey is ZLBJRZPDABNGGW-ZEQRLZLVSA-N. The full InChI is InChI=1S/C26H34N6O2/c1-5-19-9-18(8-7-17(19)3)16-34-24-15-32(6-2)14-23(24)30-26(33)22-10-20(11-28-25(22)27)21-12-29-31(4)13-21/h7-13,23-24H,5-6,14-16H2,1-4H3,(H2,27,28)(H,30,33)/t23-,24-/m0/s1.
What are the key properties of 2-amino-N-[(3S,4S)-1-ethyl-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
2-amino-N-[(3S,4S)-1-ethyl-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 462.60 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3S,4S)-1-ethyl-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 126644210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).