4-amino-N-(cyclopropylmethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxamide

C22H20F3N5O2 — CID 163382760

IUPAC4-amino-N-(cyclopropylmethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxamide
SMILESNc1nc2ncc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)CC3CC3)cc2c2c1COC2
InChIInChI=1S/C22H20F3N5O2/c23-22(24,25)14-3-4-15(27-7-14)9-30(8-12-1-2-12)21(31)13-5-16-17-10-32-11-18(17)19(26)29-20(16)28-6-13/h3-7,12H,1-2,8-11H2,(H2,26,28,29)
InChIKeyHHIPKJYYOKLNFT-UHFFFAOYSA-N
MW443.43 g/mol
LogP3.71
Rot. Bonds5

About 4-amino-N-(cyclopropylmethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxamide

4-amino-N-(cyclopropylmethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxamide (PubChem CID 163382760) has the molecular formula C22H20F3N5O2 and a molecular weight of 443.43 g/mol. Its IUPAC name is 4-amino-N-(cyclopropylmethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxamide.

Molecular Properties

Compound Name4-amino-N-(cyclopropylmethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxamide
PubChem CID163382760
Molecular FormulaC22H20F3N5O2
Molecular Weight443.43 g/mol
Exact Mass443.16
IUPAC Name4-amino-N-(cyclopropylmethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxamide
SMILESNc1nc2ncc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)CC3CC3)cc2c2c1COC2
InChIInChI=1S/C22H20F3N5O2/c23-22(24,25)14-3-4-15(27-7-14)9-30(8-12-1-2-12)21(31)13-5-16-17-10-32-11-18(17)19(26)29-20(16)28-6-13/h3-7,12H,1-2,8-11H2,(H2,26,28,29)
InChIKeyHHIPKJYYOKLNFT-UHFFFAOYSA-N
XLogP3.71
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(cyclopropylmethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxamide?
The IUPAC name of 4-amino-N-(cyclopropylmethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxamide (CID 163382760) is 4-amino-N-(cyclopropylmethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxamide.
What is the SMILES notation for 4-amino-N-(cyclopropylmethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxamide?
The canonical SMILES for 4-amino-N-(cyclopropylmethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxamide is Nc1nc2ncc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)CC3CC3)cc2c2c1COC2.
What is the InChIKey of 4-amino-N-(cyclopropylmethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxamide?
The InChIKey is HHIPKJYYOKLNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O2/c23-22(24,25)14-3-4-15(27-7-14)9-30(8-12-1-2-12)21(31)13-5-16-17-10-32-11-18(17)19(26)29-20(16)28-6-13/h3-7,12H,1-2,8-11H2,(H2,26,28,29).
What are the key properties of 4-amino-N-(cyclopropylmethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxamide?
4-amino-N-(cyclopropylmethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxamide has a molecular weight of 443.43 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(cyclopropylmethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxamide is sourced from PubChem (CID 163382760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).