N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-propylthieno[3,2-b]pyridine-5-carboxamide

C22H27N5OS — CID 118644412

IUPACN-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-propylthieno[3,2-b]pyridine-5-carboxamide
SMILESCCCc1cc2nc(C(=O)Nc3cnccc3N3CC(C)CC(N)C3)ccc2s1
InChIInChI=1S/C22H27N5OS/c1-3-4-16-10-18-21(29-16)6-5-17(25-18)22(28)26-19-11-24-8-7-20(19)27-12-14(2)9-15(23)13-27/h5-8,10-11,14-15H,3-4,9,12-13,23H2,1-2H3,(H,26,28)
InChIKeyJAXVRDBJJUPWOL-UHFFFAOYSA-N
MW409.56 g/mol
LogP4.07
Rot. Bonds5

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

N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-propylthieno[3,2-b]pyridine-5-carboxamide (PubChem CID 118644412) has the molecular formula C22H27N5OS and a molecular weight of 409.56 g/mol. Its IUPAC name is N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-propylthieno[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-propylthieno[3,2-b]pyridine-5-carboxamide
PubChem CID118644412
Molecular FormulaC22H27N5OS
Molecular Weight409.56 g/mol
Exact Mass409.19
IUPAC NameN-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-propylthieno[3,2-b]pyridine-5-carboxamide
SMILESCCCc1cc2nc(C(=O)Nc3cnccc3N3CC(C)CC(N)C3)ccc2s1
InChIInChI=1S/C22H27N5OS/c1-3-4-16-10-18-21(29-16)6-5-17(25-18)22(28)26-19-11-24-8-7-20(19)27-12-14(2)9-15(23)13-27/h5-8,10-11,14-15H,3-4,9,12-13,23H2,1-2H3,(H,26,28)
InChIKeyJAXVRDBJJUPWOL-UHFFFAOYSA-N
XLogP4.07
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-propylthieno[3,2-b]pyridine-5-carboxamide with MolForge

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Related Compounds

N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-cyclopropylthieno[3,2-b]pyridine-5-carboxamide
CID 118644388
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridine-5-carboxamide
CID 118644415
N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide
CID 118644574
N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-3-pyrimidin-5-ylfuro[3,2-b]pyridine-5-carboxamide
CID 118644525
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluoro-3-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide
CID 118644365
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-ethylquinoline-2-carboxamide
CID 118646843
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-3-ethylthieno[3,2-b]pyridine-5-carboxamide
CID 118644369
N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide
CID 118644423
2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-1-[2-(2-fluorophenyl)thieno[3,2-b]pyridin-5-yl]ethanone
CID 157420372
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-pyridin-3-yl-1,2,4-thiadiazole-5-carboxamide
CID 170647805
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2-fluoro-6-sulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 164928301
N-[4-(3-amino-5-propylpiperidin-1-yl)-3-pyridinyl]-6-(2-fluoro-6-methylphenyl)pyridine-2-carboxamide;ethane;methanol
CID 143951592

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-propylthieno[3,2-b]pyridine-5-carboxamide?
The IUPAC name of N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-propylthieno[3,2-b]pyridine-5-carboxamide (CID 118644412) is N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-propylthieno[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-propylthieno[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-propylthieno[3,2-b]pyridine-5-carboxamide is CCCc1cc2nc(C(=O)Nc3cnccc3N3CC(C)CC(N)C3)ccc2s1.
What is the InChIKey of N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-propylthieno[3,2-b]pyridine-5-carboxamide?
The InChIKey is JAXVRDBJJUPWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5OS/c1-3-4-16-10-18-21(29-16)6-5-17(25-18)22(28)26-19-11-24-8-7-20(19)27-12-14(2)9-15(23)13-27/h5-8,10-11,14-15H,3-4,9,12-13,23H2,1-2H3,(H,26,28).
What are the key properties of N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-propylthieno[3,2-b]pyridine-5-carboxamide?
N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-propylthieno[3,2-b]pyridine-5-carboxamide has a molecular weight of 409.56 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-propylthieno[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 118644412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).