N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-morpholin-4-yl-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide

C28H31N7O3 — CID 118644435

IUPACN-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-morpholin-4-yl-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide
SMILESC[C@@H]1C[C@H](N)CN(c2ccncc2NC(=O)c2ccc3oc(-c4ccc(N5CCOCC5)nc4)cc3n2)C1
InChIInChI=1S/C28H31N7O3/c1-18-12-20(29)17-35(16-18)24-6-7-30-15-23(24)33-28(36)21-3-4-25-22(32-21)13-26(38-25)19-2-5-27(31-14-19)34-8-10-37-11-9-34/h2-7,13-15,18,20H,8-12,16-17,29H2,1H3,(H,33,36)/t18-,20+/m1/s1
InChIKeyWILGABMPWVEBNS-QUCCMNQESA-N
MW513.60 g/mol
LogP3.55
Rot. Bonds5

About N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-morpholin-4-yl-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide

N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-morpholin-4-yl-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide (PubChem CID 118644435) has the molecular formula C28H31N7O3 and a molecular weight of 513.60 g/mol. Its IUPAC name is N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-morpholin-4-yl-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-morpholin-4-yl-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide
PubChem CID118644435
Molecular FormulaC28H31N7O3
Molecular Weight513.60 g/mol
Exact Mass513.25
IUPAC NameN-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-morpholin-4-yl-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide
SMILESC[C@@H]1C[C@H](N)CN(c2ccncc2NC(=O)c2ccc3oc(-c4ccc(N5CCOCC5)nc4)cc3n2)C1
InChIInChI=1S/C28H31N7O3/c1-18-12-20(29)17-35(16-18)24-6-7-30-15-23(24)33-28(36)21-3-4-25-22(32-21)13-26(38-25)19-2-5-27(31-14-19)34-8-10-37-11-9-34/h2-7,13-15,18,20H,8-12,16-17,29H2,1H3,(H,33,36)/t18-,20+/m1/s1
InChIKeyWILGABMPWVEBNS-QUCCMNQESA-N
XLogP3.55
TPSA122.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.60
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-morpholin-4-yl-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-morpholin-4-yl-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide?
The IUPAC name of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-morpholin-4-yl-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide (CID 118644435) is N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-morpholin-4-yl-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-morpholin-4-yl-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-morpholin-4-yl-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide is C[C@@H]1C[C@H](N)CN(c2ccncc2NC(=O)c2ccc3oc(-c4ccc(N5CCOCC5)nc4)cc3n2)C1.
What is the InChIKey of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-morpholin-4-yl-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide?
The InChIKey is WILGABMPWVEBNS-QUCCMNQESA-N. The full InChI is InChI=1S/C28H31N7O3/c1-18-12-20(29)17-35(16-18)24-6-7-30-15-23(24)33-28(36)21-3-4-25-22(32-21)13-26(38-25)19-2-5-27(31-14-19)34-8-10-37-11-9-34/h2-7,13-15,18,20H,8-12,16-17,29H2,1H3,(H,33,36)/t18-,20+/m1/s1.
What are the key properties of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-morpholin-4-yl-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide?
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-morpholin-4-yl-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide has a molecular weight of 513.60 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-morpholin-4-yl-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 118644435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).