N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylquinoline-2-carboxamide

C25H30N6O2 — CID 118646894

IUPACN-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylquinoline-2-carboxamide
SMILESC[C@@H]1C[C@H](N)CN(c2ccncc2NC(=O)c2ccc3ccc(N4CCOCC4)cc3n2)C1
InChIInChI=1S/C25H30N6O2/c1-17-12-19(26)16-31(15-17)24-6-7-27-14-23(24)29-25(32)21-5-3-18-2-4-20(13-22(18)28-21)30-8-10-33-11-9-30/h2-7,13-14,17,19H,8-12,15-16,26H2,1H3,(H,29,32)/t17-,19+/m1/s1
InChIKeyQRXGVUVQWPBPPQ-MJGOQNOKSA-N
MW446.56 g/mol
LogP2.89
Rot. Bonds4

About N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylquinoline-2-carboxamide

N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylquinoline-2-carboxamide (PubChem CID 118646894) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylquinoline-2-carboxamide
PubChem CID118646894
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC NameN-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylquinoline-2-carboxamide
SMILESC[C@@H]1C[C@H](N)CN(c2ccncc2NC(=O)c2ccc3ccc(N4CCOCC4)cc3n2)C1
InChIInChI=1S/C25H30N6O2/c1-17-12-19(26)16-31(15-17)24-6-7-27-14-23(24)29-25(32)21-5-3-18-2-4-20(13-22(18)28-21)30-8-10-33-11-9-30/h2-7,13-14,17,19H,8-12,15-16,26H2,1H3,(H,29,32)/t17-,19+/m1/s1
InChIKeyQRXGVUVQWPBPPQ-MJGOQNOKSA-N
XLogP2.89
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylquinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylquinoline-2-carboxamide?
The IUPAC name of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylquinoline-2-carboxamide (CID 118646894) is N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylquinoline-2-carboxamide.
What is the SMILES notation for N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylquinoline-2-carboxamide?
The canonical SMILES for N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylquinoline-2-carboxamide is C[C@@H]1C[C@H](N)CN(c2ccncc2NC(=O)c2ccc3ccc(N4CCOCC4)cc3n2)C1.
What is the InChIKey of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylquinoline-2-carboxamide?
The InChIKey is QRXGVUVQWPBPPQ-MJGOQNOKSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-17-12-19(26)16-31(15-17)24-6-7-27-14-23(24)29-25(32)21-5-3-18-2-4-20(13-22(18)28-21)30-8-10-33-11-9-30/h2-7,13-14,17,19H,8-12,15-16,26H2,1H3,(H,29,32)/t17-,19+/m1/s1.
What are the key properties of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylquinoline-2-carboxamide?
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylquinoline-2-carboxamide has a molecular weight of 446.56 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylquinoline-2-carboxamide is sourced from PubChem (CID 118646894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).