6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[[(1R,2S)-2-fluorocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide

C23H30FN7O4 — CID 121409340

IUPAC6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[[(1R,2S)-2-fluorocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide
SMILESC[C@H](CO)NC(=O)c1cc(N2CCC(c3ccc(N)c(C(N)=O)n3)CC2)nc(OC[C@H]2C[C@@H]2F)n1
InChIInChI=1S/C23H30FN7O4/c1-12(10-32)27-22(34)18-9-19(30-23(29-18)35-11-14-8-15(14)24)31-6-4-13(5-7-31)17-3-2-16(25)20(28-17)21(26)33/h2-3,9,12-15,32H,4-8,10-11,25H2,1H3,(H2,26,33)(H,27,34)/t12-,14-,15+/m1/s1
InChIKeyBDDQEIUIDBRTLB-YUELXQCFSA-N
MW487.54 g/mol
LogP0.78
Rot. Bonds9

About 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[[(1R,2S)-2-fluorocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide

6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[[(1R,2S)-2-fluorocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide (PubChem CID 121409340) has the molecular formula C23H30FN7O4 and a molecular weight of 487.54 g/mol. Its IUPAC name is 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[[(1R,2S)-2-fluorocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[[(1R,2S)-2-fluorocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide
PubChem CID121409340
Molecular FormulaC23H30FN7O4
Molecular Weight487.54 g/mol
Exact Mass487.23
IUPAC Name6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[[(1R,2S)-2-fluorocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide
SMILESC[C@H](CO)NC(=O)c1cc(N2CCC(c3ccc(N)c(C(N)=O)n3)CC2)nc(OC[C@H]2C[C@@H]2F)n1
InChIInChI=1S/C23H30FN7O4/c1-12(10-32)27-22(34)18-9-19(30-23(29-18)35-11-14-8-15(14)24)31-6-4-13(5-7-31)17-3-2-16(25)20(28-17)21(26)33/h2-3,9,12-15,32H,4-8,10-11,25H2,1H3,(H2,26,33)(H,27,34)/t12-,14-,15+/m1/s1
InChIKeyBDDQEIUIDBRTLB-YUELXQCFSA-N
XLogP0.78
TPSA169.58 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.54
LogP ≤ 50.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[[(1R,2S)-2-fluorocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[[(1R,2S)-2-fluorocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[[(1R,2S)-2-fluorocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide (CID 121409340) is 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[[(1R,2S)-2-fluorocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[[(1R,2S)-2-fluorocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[[(1R,2S)-2-fluorocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide is C[C@H](CO)NC(=O)c1cc(N2CCC(c3ccc(N)c(C(N)=O)n3)CC2)nc(OC[C@H]2C[C@@H]2F)n1.
What is the InChIKey of 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[[(1R,2S)-2-fluorocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide?
The InChIKey is BDDQEIUIDBRTLB-YUELXQCFSA-N. The full InChI is InChI=1S/C23H30FN7O4/c1-12(10-32)27-22(34)18-9-19(30-23(29-18)35-11-14-8-15(14)24)31-6-4-13(5-7-31)17-3-2-16(25)20(28-17)21(26)33/h2-3,9,12-15,32H,4-8,10-11,25H2,1H3,(H2,26,33)(H,27,34)/t12-,14-,15+/m1/s1.
What are the key properties of 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[[(1R,2S)-2-fluorocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide?
6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[[(1R,2S)-2-fluorocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide has a molecular weight of 487.54 g/mol, XLogP of 0.78, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[[(1R,2S)-2-fluorocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 121409340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).