5-fluoro-6-[[(3S)-piperidin-3-yl]amino]-2-(quinolin-6-ylamino)pyridine-3-carboxamide

C20H21FN6O — CID 67510750

IUPAC5-fluoro-6-[[(3S)-piperidin-3-yl]amino]-2-(quinolin-6-ylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cc(F)c(N[C@H]2CCCNC2)nc1Nc1ccc2ncccc2c1
InChIInChI=1S/C20H21FN6O/c21-16-10-15(18(22)28)19(27-20(16)26-14-4-2-7-23-11-14)25-13-5-6-17-12(9-13)3-1-8-24-17/h1,3,5-6,8-10,14,23H,2,4,7,11H2,(H2,22,28)(H2,25,26,27)/t14-/m0/s1
InChIKeyLTIUSVBCOOBBNO-AWEZNQCLSA-N
MW380.43 g/mol
LogP2.78
Rot. Bonds5

About 5-fluoro-6-[[(3S)-piperidin-3-yl]amino]-2-(quinolin-6-ylamino)pyridine-3-carboxamide

5-fluoro-6-[[(3S)-piperidin-3-yl]amino]-2-(quinolin-6-ylamino)pyridine-3-carboxamide (PubChem CID 67510750) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is 5-fluoro-6-[[(3S)-piperidin-3-yl]amino]-2-(quinolin-6-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-6-[[(3S)-piperidin-3-yl]amino]-2-(quinolin-6-ylamino)pyridine-3-carboxamide
PubChem CID67510750
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC Name5-fluoro-6-[[(3S)-piperidin-3-yl]amino]-2-(quinolin-6-ylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cc(F)c(N[C@H]2CCCNC2)nc1Nc1ccc2ncccc2c1
InChIInChI=1S/C20H21FN6O/c21-16-10-15(18(22)28)19(27-20(16)26-14-4-2-7-23-11-14)25-13-5-6-17-12(9-13)3-1-8-24-17/h1,3,5-6,8-10,14,23H,2,4,7,11H2,(H2,22,28)(H2,25,26,27)/t14-/m0/s1
InChIKeyLTIUSVBCOOBBNO-AWEZNQCLSA-N
XLogP2.78
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[[(3S)-piperidin-3-yl]amino]-2-(quinolin-6-ylamino)pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-6-[[(3S)-piperidin-3-yl]amino]-2-(quinolin-6-ylamino)pyridine-3-carboxamide (CID 67510750) is 5-fluoro-6-[[(3S)-piperidin-3-yl]amino]-2-(quinolin-6-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-6-[[(3S)-piperidin-3-yl]amino]-2-(quinolin-6-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-6-[[(3S)-piperidin-3-yl]amino]-2-(quinolin-6-ylamino)pyridine-3-carboxamide is NC(=O)c1cc(F)c(N[C@H]2CCCNC2)nc1Nc1ccc2ncccc2c1.
What is the InChIKey of 5-fluoro-6-[[(3S)-piperidin-3-yl]amino]-2-(quinolin-6-ylamino)pyridine-3-carboxamide?
The InChIKey is LTIUSVBCOOBBNO-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21FN6O/c21-16-10-15(18(22)28)19(27-20(16)26-14-4-2-7-23-11-14)25-13-5-6-17-12(9-13)3-1-8-24-17/h1,3,5-6,8-10,14,23H,2,4,7,11H2,(H2,22,28)(H2,25,26,27)/t14-/m0/s1.
What are the key properties of 5-fluoro-6-[[(3S)-piperidin-3-yl]amino]-2-(quinolin-6-ylamino)pyridine-3-carboxamide?
5-fluoro-6-[[(3S)-piperidin-3-yl]amino]-2-(quinolin-6-ylamino)pyridine-3-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[[(3S)-piperidin-3-yl]amino]-2-(quinolin-6-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 67510750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).