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

C22H22N6O3 — CID 118644283

IUPACN-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(1,2-oxazol-4-yl)furo[3,2-b]pyridine-5-carboxamide
SMILESC[C@@H]1C[C@H](N)CN(c2ccncc2NC(=O)c2ccc3occ(-c4cnoc4)c3n2)C1
InChIInChI=1S/C22H22N6O3/c1-13-6-15(23)10-28(9-13)19-4-5-24-8-18(19)27-22(29)17-2-3-20-21(26-17)16(12-30-20)14-7-25-31-11-14/h2-5,7-8,11-13,15H,6,9-10,23H2,1H3,(H,27,29)/t13-,15+/m1/s1
InChIKeyQQKIIYQSSXHFII-HIFRSBDPSA-N
MW418.46 g/mol
LogP3.30
Rot. Bonds4

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

N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(1,2-oxazol-4-yl)furo[3,2-b]pyridine-5-carboxamide (PubChem CID 118644283) has the molecular formula C22H22N6O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(1,2-oxazol-4-yl)furo[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(1,2-oxazol-4-yl)furo[3,2-b]pyridine-5-carboxamide
PubChem CID118644283
Molecular FormulaC22H22N6O3
Molecular Weight418.46 g/mol
Exact Mass418.18
IUPAC NameN-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(1,2-oxazol-4-yl)furo[3,2-b]pyridine-5-carboxamide
SMILESC[C@@H]1C[C@H](N)CN(c2ccncc2NC(=O)c2ccc3occ(-c4cnoc4)c3n2)C1
InChIInChI=1S/C22H22N6O3/c1-13-6-15(23)10-28(9-13)19-4-5-24-8-18(19)27-22(29)17-2-3-20-21(26-17)16(12-30-20)14-7-25-31-11-14/h2-5,7-8,11-13,15H,6,9-10,23H2,1H3,(H,27,29)/t13-,15+/m1/s1
InChIKeyQQKIIYQSSXHFII-HIFRSBDPSA-N
XLogP3.30
TPSA123.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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]-3-(1,2-oxazol-4-yl)furo[3,2-b]pyridine-5-carboxamide?
The IUPAC name of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(1,2-oxazol-4-yl)furo[3,2-b]pyridine-5-carboxamide (CID 118644283) is N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(1,2-oxazol-4-yl)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]-3-(1,2-oxazol-4-yl)furo[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(1,2-oxazol-4-yl)furo[3,2-b]pyridine-5-carboxamide is C[C@@H]1C[C@H](N)CN(c2ccncc2NC(=O)c2ccc3occ(-c4cnoc4)c3n2)C1.
What is the InChIKey of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(1,2-oxazol-4-yl)furo[3,2-b]pyridine-5-carboxamide?
The InChIKey is QQKIIYQSSXHFII-HIFRSBDPSA-N. The full InChI is InChI=1S/C22H22N6O3/c1-13-6-15(23)10-28(9-13)19-4-5-24-8-18(19)27-22(29)17-2-3-20-21(26-17)16(12-30-20)14-7-25-31-11-14/h2-5,7-8,11-13,15H,6,9-10,23H2,1H3,(H,27,29)/t13-,15+/m1/s1.
What are the key properties of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(1,2-oxazol-4-yl)furo[3,2-b]pyridine-5-carboxamide?
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(1,2-oxazol-4-yl)furo[3,2-b]pyridine-5-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(1,2-oxazol-4-yl)furo[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 118644283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).